2026-02-10T11:37:01,775 Created temporary directory: /tmp/pip-ephem-wheel-cache-37crg3yz 2026-02-10T11:37:01,777 Created temporary directory: /tmp/pip-build-tracker-zyxmtdys 2026-02-10T11:37:01,777 Initialized build tracking at /tmp/pip-build-tracker-zyxmtdys 2026-02-10T11:37:01,778 Created build tracker: /tmp/pip-build-tracker-zyxmtdys 2026-02-10T11:37:01,778 Entered build tracker: /tmp/pip-build-tracker-zyxmtdys 2026-02-10T11:37:01,779 Created temporary directory: /tmp/pip-wheel-ij3uedxh 2026-02-10T11:37:01,781 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2026-02-10T11:37:01,784 Created temporary directory: /tmp/pip-ephem-wheel-cache-fl1q4bf3 2026-02-10T11:37:01,805 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-02-10T11:37:01,808 2 location(s) to search for versions of xcbm: 2026-02-10T11:37:01,808 * https://pypi.org/simple/xcbm/ 2026-02-10T11:37:01,808 * https://www.piwheels.org/simple/xcbm/ 2026-02-10T11:37:01,809 Fetching project page and analyzing links: https://pypi.org/simple/xcbm/ 2026-02-10T11:37:01,810 Getting page https://pypi.org/simple/xcbm/ 2026-02-10T11:37:01,811 Found index url https://pypi.org/simple 2026-02-10T11:37:02,090 Fetched page https://pypi.org/simple/xcbm/ as application/vnd.pypi.simple.v1+json 2026-02-10T11:37:02,094 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) 2026-02-10T11:37:02,095 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 2026-02-10T11:37:02,096 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) 2026-02-10T11:37:02,096 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 2026-02-10T11:37:02,097 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) 2026-02-10T11:37:02,098 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 2026-02-10T11:37:02,099 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) 2026-02-10T11:37:02,099 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 2026-02-10T11:37:02,100 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) 2026-02-10T11:37:02,101 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 2026-02-10T11:37:02,102 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) 2026-02-10T11:37:02,103 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 2026-02-10T11:37:02,103 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) 2026-02-10T11:37:02,104 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 2026-02-10T11:37:02,105 Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/29/67/bbad7dabd26665b89eb4f3ae9842a2f3fa780c259d0d68070366e4e766be/xcbm-0.1.7-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9) 2026-02-10T11:37:02,105 Found link https://files.pythonhosted.org/packages/0e/47/e89123f5add0f57506e194ad96d7940bf0463ef9bf48ceae4fa1ea2022f7/xcbm-0.1.7.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.7 2026-02-10T11:37:02,106 Skipping link: No binaries permitted for xcbm: https://files.pythonhosted.org/packages/f5/e9/35cfd82443b45c8e60b8a29baeeaff4cc52f50a50395761808aa07888614/xcbm-0.1.8-py3-none-any.whl (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9) 2026-02-10T11:37:02,107 Found link https://files.pythonhosted.org/packages/72/88/1a33887cecdb5a2cef0ce35dc7b7698f48504e4f249fe4d09fd86e332059/xcbm-0.1.8.tar.gz (from https://pypi.org/simple/xcbm/) (requires-python:>=3.9), version: 0.1.8 2026-02-10T11:37:02,108 Fetching project page and analyzing links: https://www.piwheels.org/simple/xcbm/ 2026-02-10T11:37:02,108 Getting page https://www.piwheels.org/simple/xcbm/ 2026-02-10T11:37:02,109 Found index url https://www.piwheels.org/simple 2026-02-10T11:37:02,266 Fetched page https://www.piwheels.org/simple/xcbm/ as text/html 2026-02-10T11:37:02,269 Skipping link: No binaries permitted for xcbm: https://archive1.piwheels.org/simple/xcbm/xcbm-0.1.6-py3-none-any.whl#sha256=77600b40844b481dc27bc9c50e087f8fc2b5f4322e58b8f115d1afb88d3bf3b5 (from https://www.piwheels.org/simple/xcbm/) (requires-python:>=3.9) 2026-02-10T11:37:02,270 Skipping link: No binaries permitted for xcbm: https://archive1.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) 2026-02-10T11:37:02,270 Skipping link: No binaries permitted for xcbm: https://archive1.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) 2026-02-10T11:37:02,271 Skipping link: No binaries permitted for xcbm: https://archive1.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) 2026-02-10T11:37:02,271 Skipping link: No binaries permitted for xcbm: https://archive1.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) 2026-02-10T11:37:02,272 Skipping link: No binaries permitted for xcbm: https://archive1.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) 2026-02-10T11:37:02,272 Skipping link: No binaries permitted for xcbm: https://archive1.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) 2026-02-10T11:37:02,273 Skipping link: not a file: https://www.piwheels.org/simple/xcbm/ 2026-02-10T11:37:02,274 Skipping link: not a file: https://pypi.org/simple/xcbm/ 2026-02-10T11:37:02,293 Given no hashes to check 1 links for project 'xcbm': discarding no candidates 2026-02-10T11:37:02,310 Collecting xcbm==0.1.7 2026-02-10T11:37:02,313 Created temporary directory: /tmp/pip-unpack-rsxx4f4h 2026-02-10T11:37:02,758 Downloading xcbm-0.1.7.tar.gz (4.2 MB) 2026-02-10T11:37:39,602 Added xcbm==0.1.7 from https://files.pythonhosted.org/packages/0e/47/e89123f5add0f57506e194ad96d7940bf0463ef9bf48ceae4fa1ea2022f7/xcbm-0.1.7.tar.gz to build tracker '/tmp/pip-build-tracker-zyxmtdys' 2026-02-10T11:37:39,607 Created temporary directory: /tmp/pip-build-env-tk5svrib 2026-02-10T11:37:39,612 Installing build dependencies: started 2026-02-10T11:37:39,613 Running command pip subprocess to install build dependencies 2026-02-10T11:37:40,730 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2026-02-10T11:37:41,340 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2026-02-10T11:37:41,363 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-02-10T11:37:43,142 Collecting setuptools>=40.8.0 2026-02-10T11:37:43,161 Using cached setuptools-82.0.0-py3-none-any.whl (1.0 MB) 2026-02-10T11:37:43,453 Collecting wheel 2026-02-10T11:37:43,471 Using cached https://www.piwheels.org/simple/wheel/wheel-0.46.3-py3-none-any.whl (30 kB) 2026-02-10T11:37:43,653 Collecting packaging>=24.0 2026-02-10T11:37:43,669 Using cached https://www.piwheels.org/simple/packaging/packaging-26.0-py3-none-any.whl (74 kB) 2026-02-10T11:37:46,634 Installing collected packages: setuptools, packaging, wheel 2026-02-10T11:37:50,003 Creating /tmp/pip-build-env-tk5svrib/overlay/local/bin 2026-02-10T11:37:50,005 changing mode of /tmp/pip-build-env-tk5svrib/overlay/local/bin/wheel to 755 2026-02-10T11:37:50,025 Successfully installed packaging-26.0 setuptools-82.0.0 wheel-0.46.3 2026-02-10T11:37:50,321 Installing build dependencies: finished with status 'done' 2026-02-10T11:37:50,328 Getting requirements to build wheel: started 2026-02-10T11:37:50,329 Running command Getting requirements to build wheel 2026-02-10T11:37:56,106 running egg_info 2026-02-10T11:37:56,112 writing xcbm.egg-info/PKG-INFO 2026-02-10T11:37:56,115 writing dependency_links to xcbm.egg-info/dependency_links.txt 2026-02-10T11:37:56,126 writing top-level names to xcbm.egg-info/top_level.txt 2026-02-10T11:38:36,629 reading manifest file 'xcbm.egg-info/SOURCES.txt' 2026-02-10T11:38:37,559 adding license file 'LICENSE' 2026-02-10T11:38:38,630 writing manifest file 'xcbm.egg-info/SOURCES.txt' 2026-02-10T11:38:38,777 Getting requirements to build wheel: finished with status 'done' 2026-02-10T11:38:38,781 Created temporary directory: /tmp/pip-modern-metadata-l1o8xx1m 2026-02-10T11:38:38,783 Preparing metadata (pyproject.toml): started 2026-02-10T11:38:38,784 Running command Preparing metadata (pyproject.toml) 2026-02-10T11:38:42,041 running dist_info 2026-02-10T11:38:42,052 creating /tmp/pip-modern-metadata-l1o8xx1m/xcbm.egg-info 2026-02-10T11:38:42,053 writing /tmp/pip-modern-metadata-l1o8xx1m/xcbm.egg-info/PKG-INFO 2026-02-10T11:38:42,056 writing dependency_links to /tmp/pip-modern-metadata-l1o8xx1m/xcbm.egg-info/dependency_links.txt 2026-02-10T11:38:42,067 writing top-level names to /tmp/pip-modern-metadata-l1o8xx1m/xcbm.egg-info/top_level.txt 2026-02-10T11:38:42,069 writing manifest file '/tmp/pip-modern-metadata-l1o8xx1m/xcbm.egg-info/SOURCES.txt' 2026-02-10T11:39:12,553 reading manifest file '/tmp/pip-modern-metadata-l1o8xx1m/xcbm.egg-info/SOURCES.txt' 2026-02-10T11:39:12,556 adding license file 'LICENSE' 2026-02-10T11:39:13,159 writing manifest file '/tmp/pip-modern-metadata-l1o8xx1m/xcbm.egg-info/SOURCES.txt' 2026-02-10T11:39:13,216 creating '/tmp/pip-modern-metadata-l1o8xx1m/xcbm-0.1.7.dist-info' 2026-02-10T11:39:13,360 Preparing metadata (pyproject.toml): finished with status 'done' 2026-02-10T11:39:13,365 Source in /tmp/pip-wheel-ij3uedxh/xcbm_e80429d0fafd412ba1dc330eb48ffccf has version 0.1.7, which satisfies requirement xcbm==0.1.7 from https://files.pythonhosted.org/packages/0e/47/e89123f5add0f57506e194ad96d7940bf0463ef9bf48ceae4fa1ea2022f7/xcbm-0.1.7.tar.gz 2026-02-10T11:39:13,366 Removed xcbm==0.1.7 from https://files.pythonhosted.org/packages/0e/47/e89123f5add0f57506e194ad96d7940bf0463ef9bf48ceae4fa1ea2022f7/xcbm-0.1.7.tar.gz from build tracker '/tmp/pip-build-tracker-zyxmtdys' 2026-02-10T11:39:13,371 Created temporary directory: /tmp/pip-unpack-h841nf02 2026-02-10T11:39:13,371 Building wheels for collected packages: xcbm 2026-02-10T11:39:13,375 Created temporary directory: /tmp/pip-wheel-q0zij50n 2026-02-10T11:39:13,376 Destination directory: /tmp/pip-wheel-q0zij50n 2026-02-10T11:39:13,378 Building wheel for xcbm (pyproject.toml): started 2026-02-10T11:39:13,379 Running command Building wheel for xcbm (pyproject.toml) 2026-02-10T11:39:17,258 running bdist_wheel 2026-02-10T11:39:17,276 running build 2026-02-10T11:39:17,277 running build_py 2026-02-10T11:39:17,283 creating build/lib/xcbm 2026-02-10T11:39:17,285 copying xcbm/MGCDB84.py -> build/lib/xcbm 2026-02-10T11:39:17,288 copying xcbm/GMTKN55.py -> build/lib/xcbm 2026-02-10T11:39:17,291 creating build/lib/xcbm/Input_Scripts 2026-02-10T11:39:17,292 copying xcbm/Input_Scripts/calc_GMTKN55.py -> build/lib/xcbm/Input_Scripts 2026-02-10T11:39:17,295 copying xcbm/Input_Scripts/calc_MGCDB84.py -> build/lib/xcbm/Input_Scripts 2026-02-10T11:39:21,599 running egg_info 2026-02-10T11:39:21,610 writing xcbm.egg-info/PKG-INFO 2026-02-10T11:39:21,612 writing dependency_links to xcbm.egg-info/dependency_links.txt 2026-02-10T11:39:21,623 writing top-level names to xcbm.egg-info/top_level.txt 2026-02-10T11:40:03,914 reading manifest file 'xcbm.egg-info/SOURCES.txt' 2026-02-10T11:40:04,868 adding license file 'LICENSE' 2026-02-10T11:40:05,876 writing manifest file 'xcbm.egg-info/SOURCES.txt' 2026-02-10T11:40:36,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2 2026-02-10T11:40:36,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2 2026-02-10T11:40:36,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr 2026-02-10T11:40:36,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr 2026-02-10T11:40:36,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr 2026-02-10T11:40:36,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr 2026-02-10T11:40:36,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2 2026-02-10T11:40:36,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2 2026-02-10T11:40:36,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe 2026-02-10T11:40:36,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe 2026-02-10T11:40:36,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3 2026-02-10T11:40:36,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3 2026-02-10T11:40:36,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2 2026-02-10T11:40:36,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2 2026-02-10T11:40:36,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:40:36,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:40:36,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6 2026-02-10T11:40:36,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6 2026-02-10T11:40:36,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe 2026-02-10T11:40:36,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe 2026-02-10T11:40:36,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3 2026-02-10T11:40:36,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3 2026-02-10T11:40:36,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf 2026-02-10T11:40:36,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf 2026-02-10T11:40:36,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6 2026-02-10T11:40:36,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6 2026-02-10T11:40:36,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr 2026-02-10T11:40:36,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr 2026-02-10T11:40:36,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr 2026-02-10T11:40:36,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr 2026-02-10T11:40:36,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne 2026-02-10T11:40:36,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne 2026-02-10T11:40:36,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:40:36,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:40:36,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3 2026-02-10T11:40:36,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3 2026-02-10T11:40:36,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz 2026-02-10T11:40:36,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz 2026-02-10T11:40:36,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4 2026-02-10T11:40:36,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4 2026-02-10T11:40:36,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar 2026-02-10T11:40:36,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar 2026-02-10T11:40:36,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:40:36,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:40:36,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2 2026-02-10T11:40:36,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2 2026-02-10T11:40:36,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4 2026-02-10T11:40:36,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4 2026-02-10T11:40:36,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:40:36,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:40:36,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1 2026-02-10T11:40:36,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1 2026-02-10T11:40:36,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:40:36,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:40:36,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2 2026-02-10T11:40:36,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2 2026-02-10T11:40:36,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:40:36,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:40:36,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:40:36,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:40:36,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8 2026-02-10T11:40:36,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8 2026-02-10T11:40:36,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9 2026-02-10T11:40:36,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9 2026-02-10T11:40:36,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1 2026-02-10T11:40:36,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1 2026-02-10T11:40:36,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2 2026-02-10T11:40:36,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2 2026-02-10T11:40:36,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:40:36,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:40:36,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7 2026-02-10T11:40:36,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7 2026-02-10T11:40:36,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5 2026-02-10T11:40:36,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5 2026-02-10T11:40:36,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:40:36,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:40:36,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5 2026-02-10T11:40:36,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5 2026-02-10T11:40:36,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4 2026-02-10T11:40:36,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4 2026-02-10T11:40:36,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o 2026-02-10T11:40:36,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o 2026-02-10T11:40:36,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:40:36,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:40:36,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9 2026-02-10T11:40:36,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9 2026-02-10T11:40:36,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3 2026-02-10T11:40:36,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3 2026-02-10T11:40:36,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3 2026-02-10T11:40:36,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3 2026-02-10T11:40:36,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:40:36,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:40:36,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4 2026-02-10T11:40:36,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4 2026-02-10T11:40:36,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:40:36,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:40:36,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8 2026-02-10T11:40:36,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8 2026-02-10T11:40:36,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6 2026-02-10T11:40:36,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6 2026-02-10T11:40:36,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7 2026-02-10T11:40:36,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7 2026-02-10T11:40:36,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6 2026-02-10T11:40:36,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6 2026-02-10T11:40:36,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:40:36,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:40:36,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1 2026-02-10T11:40:36,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1 2026-02-10T11:40:36,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A 2026-02-10T11:40:36,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A 2026-02-10T11:40:36,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B 2026-02-10T11:40:36,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B 2026-02-10T11:40:36,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A 2026-02-10T11:40:36,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A 2026-02-10T11:40:36,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B 2026-02-10T11:40:36,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B 2026-02-10T11:40:36,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B 2026-02-10T11:40:36,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B 2026-02-10T11:40:36,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4 2026-02-10T11:40:36,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4 2026-02-10T11:40:36,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A 2026-02-10T11:40:36,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A 2026-02-10T11:40:36,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A 2026-02-10T11:40:36,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A 2026-02-10T11:40:36,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12 2026-02-10T11:40:36,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12 2026-02-10T11:40:36,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A 2026-02-10T11:40:36,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A 2026-02-10T11:40:36,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18 2026-02-10T11:40:36,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18 2026-02-10T11:40:36,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A 2026-02-10T11:40:36,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A 2026-02-10T11:40:36,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13 2026-02-10T11:40:36,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13 2026-02-10T11:40:36,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A 2026-02-10T11:40:36,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A 2026-02-10T11:40:36,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B 2026-02-10T11:40:36,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B 2026-02-10T11:40:36,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A 2026-02-10T11:40:36,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A 2026-02-10T11:40:36,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A 2026-02-10T11:40:36,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A 2026-02-10T11:40:36,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B 2026-02-10T11:40:36,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B 2026-02-10T11:40:36,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A 2026-02-10T11:40:36,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A 2026-02-10T11:40:36,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A 2026-02-10T11:40:36,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A 2026-02-10T11:40:36,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20 2026-02-10T11:40:36,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20 2026-02-10T11:40:36,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3 2026-02-10T11:40:36,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3 2026-02-10T11:40:36,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A 2026-02-10T11:40:36,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A 2026-02-10T11:40:36,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B 2026-02-10T11:40:36,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B 2026-02-10T11:40:36,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A 2026-02-10T11:40:36,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A 2026-02-10T11:40:36,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B 2026-02-10T11:40:36,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B 2026-02-10T11:40:36,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A 2026-02-10T11:40:36,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A 2026-02-10T11:40:36,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B 2026-02-10T11:40:36,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B 2026-02-10T11:40:36,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16 2026-02-10T11:40:36,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16 2026-02-10T11:40:36,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B 2026-02-10T11:40:36,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B 2026-02-10T11:40:36,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B 2026-02-10T11:40:36,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B 2026-02-10T11:40:36,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A 2026-02-10T11:40:36,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A 2026-02-10T11:40:36,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B 2026-02-10T11:40:36,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B 2026-02-10T11:40:36,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A 2026-02-10T11:40:36,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A 2026-02-10T11:40:36,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B 2026-02-10T11:40:36,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B 2026-02-10T11:40:36,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B 2026-02-10T11:40:36,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B 2026-02-10T11:40:36,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9 2026-02-10T11:40:36,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9 2026-02-10T11:40:36,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A 2026-02-10T11:40:36,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A 2026-02-10T11:40:36,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A 2026-02-10T11:40:36,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A 2026-02-10T11:40:36,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A 2026-02-10T11:40:36,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A 2026-02-10T11:40:36,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7 2026-02-10T11:40:36,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7 2026-02-10T11:40:36,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10 2026-02-10T11:40:36,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10 2026-02-10T11:40:36,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B 2026-02-10T11:40:36,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B 2026-02-10T11:40:36,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6 2026-02-10T11:40:36,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6 2026-02-10T11:40:36,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B 2026-02-10T11:40:36,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B 2026-02-10T11:40:36,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A 2026-02-10T11:40:36,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A 2026-02-10T11:40:36,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A 2026-02-10T11:40:36,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A 2026-02-10T11:40:36,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B 2026-02-10T11:40:36,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B 2026-02-10T11:40:36,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B 2026-02-10T11:40:36,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B 2026-02-10T11:40:36,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B 2026-02-10T11:40:36,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B 2026-02-10T11:40:36,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11 2026-02-10T11:40:36,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11 2026-02-10T11:40:36,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B 2026-02-10T11:40:36,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B 2026-02-10T11:40:36,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5 2026-02-10T11:40:36,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5 2026-02-10T11:40:36,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15 2026-02-10T11:40:36,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15 2026-02-10T11:40:36,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B 2026-02-10T11:40:36,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B 2026-02-10T11:40:36,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17 2026-02-10T11:40:36,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17 2026-02-10T11:40:36,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21 2026-02-10T11:40:36,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21 2026-02-10T11:40:36,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B 2026-02-10T11:40:36,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B 2026-02-10T11:40:36,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2 2026-02-10T11:40:36,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2 2026-02-10T11:40:36,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14 2026-02-10T11:40:36,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14 2026-02-10T11:40:36,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19 2026-02-10T11:40:36,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19 2026-02-10T11:40:36,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8 2026-02-10T11:40:36,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8 2026-02-10T11:40:36,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts 2026-02-10T11:40:36,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts 2026-02-10T11:40:36,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1 2026-02-10T11:40:36,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1 2026-02-10T11:40:36,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6 2026-02-10T11:40:36,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6 2026-02-10T11:40:36,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:40:36,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:40:36,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts 2026-02-10T11:40:36,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts 2026-02-10T11:40:36,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6 2026-02-10T11:40:36,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6 2026-02-10T11:40:36,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r 2026-02-10T11:40:36,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r 2026-02-10T11:40:36,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:40:36,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:40:36,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:40:36,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:40:36,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:40:36,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:40:36,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:40:36,691 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 2026-02-10T11:40:36,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7 2026-02-10T11:40:36,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7 2026-02-10T11:40:36,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:40:36,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:40:36,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r 2026-02-10T11:40:36,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r 2026-02-10T11:40:36,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5 2026-02-10T11:40:36,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5 2026-02-10T11:40:36,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r 2026-02-10T11:40:36,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r 2026-02-10T11:40:36,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3 2026-02-10T11:40:36,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3 2026-02-10T11:40:36,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:40:36,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:40:36,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:40:36,717 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 2026-02-10T11:40:36,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:40:36,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:40:36,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts 2026-02-10T11:40:36,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts 2026-02-10T11:40:36,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:40:36,727 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 2026-02-10T11:40:36,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts 2026-02-10T11:40:36,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts 2026-02-10T11:40:36,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5 2026-02-10T11:40:36,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5 2026-02-10T11:40:36,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2 2026-02-10T11:40:36,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2 2026-02-10T11:40:36,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:40:36,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:40:36,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3 2026-02-10T11:40:36,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3 2026-02-10T11:40:36,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11 2026-02-10T11:40:36,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11 2026-02-10T11:40:36,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:40:36,749 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 2026-02-10T11:40:36,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts 2026-02-10T11:40:36,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts 2026-02-10T11:40:36,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts 2026-02-10T11:40:36,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts 2026-02-10T11:40:36,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:40:36,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:40:36,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:40:36,761 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 2026-02-10T11:40:36,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:40:36,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:40:36,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts 2026-02-10T11:40:36,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts 2026-02-10T11:40:36,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r 2026-02-10T11:40:36,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r 2026-02-10T11:40:36,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:40:36,776 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 2026-02-10T11:40:36,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r 2026-02-10T11:40:36,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r 2026-02-10T11:40:36,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:40:36,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:40:36,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts 2026-02-10T11:40:36,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts 2026-02-10T11:40:36,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4 2026-02-10T11:40:36,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4 2026-02-10T11:40:36,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8 2026-02-10T11:40:36,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8 2026-02-10T11:40:36,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:40:36,797 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 2026-02-10T11:40:36,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:40:36,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:40:36,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4 2026-02-10T11:40:36,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4 2026-02-10T11:40:36,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9 2026-02-10T11:40:36,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9 2026-02-10T11:40:36,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r 2026-02-10T11:40:36,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r 2026-02-10T11:40:36,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:40:36,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:40:36,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts 2026-02-10T11:40:36,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts 2026-02-10T11:40:36,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7 2026-02-10T11:40:36,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7 2026-02-10T11:40:36,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:40:36,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:40:36,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8 2026-02-10T11:40:36,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8 2026-02-10T11:40:36,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:40:36,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:40:36,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10 2026-02-10T11:40:36,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10 2026-02-10T11:40:36,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:40:36,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:40:36,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r 2026-02-10T11:40:36,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r 2026-02-10T11:40:36,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r 2026-02-10T11:40:36,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r 2026-02-10T11:40:36,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9 2026-02-10T11:40:36,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9 2026-02-10T11:40:36,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:40:36,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:40:36,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1 2026-02-10T11:40:36,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1 2026-02-10T11:40:36,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2 2026-02-10T11:40:36,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2 2026-02-10T11:40:36,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13 2026-02-10T11:40:36,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13 2026-02-10T11:40:36,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15 2026-02-10T11:40:36,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15 2026-02-10T11:40:36,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8 2026-02-10T11:40:36,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8 2026-02-10T11:40:36,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2 2026-02-10T11:40:36,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2 2026-02-10T11:40:36,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1 2026-02-10T11:40:36,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1 2026-02-10T11:40:36,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11 2026-02-10T11:40:36,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11 2026-02-10T11:40:36,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4 2026-02-10T11:40:36,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4 2026-02-10T11:40:36,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7 2026-02-10T11:40:36,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7 2026-02-10T11:40:36,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3 2026-02-10T11:40:36,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3 2026-02-10T11:40:36,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12 2026-02-10T11:40:36,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12 2026-02-10T11:40:36,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4 2026-02-10T11:40:36,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4 2026-02-10T11:40:36,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5 2026-02-10T11:40:36,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5 2026-02-10T11:40:36,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6 2026-02-10T11:40:36,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6 2026-02-10T11:40:36,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1 2026-02-10T11:40:36,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1 2026-02-10T11:40:36,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10 2026-02-10T11:40:36,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10 2026-02-10T11:40:36,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3 2026-02-10T11:40:36,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3 2026-02-10T11:40:36,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14 2026-02-10T11:40:36,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14 2026-02-10T11:40:36,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2 2026-02-10T11:40:36,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2 2026-02-10T11:40:36,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9 2026-02-10T11:40:36,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9 2026-02-10T11:40:36,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1 2026-02-10T11:40:36,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1 2026-02-10T11:40:36,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36 2026-02-10T11:40:36,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36 2026-02-10T11:40:36,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4 2026-02-10T11:40:36,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4 2026-02-10T11:40:36,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12 2026-02-10T11:40:36,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12 2026-02-10T11:40:36,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27 2026-02-10T11:40:36,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27 2026-02-10T11:40:36,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18 2026-02-10T11:40:36,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18 2026-02-10T11:40:36,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34 2026-02-10T11:40:36,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34 2026-02-10T11:40:36,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13 2026-02-10T11:40:36,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13 2026-02-10T11:40:36,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48 2026-02-10T11:40:36,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48 2026-02-10T11:40:36,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45 2026-02-10T11:40:36,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45 2026-02-10T11:40:37,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46 2026-02-10T11:40:37,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46 2026-02-10T11:40:37,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38 2026-02-10T11:40:37,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38 2026-02-10T11:40:37,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49 2026-02-10T11:40:37,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49 2026-02-10T11:40:37,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20 2026-02-10T11:40:37,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20 2026-02-10T11:40:37,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3 2026-02-10T11:40:37,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3 2026-02-10T11:40:37,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41 2026-02-10T11:40:37,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41 2026-02-10T11:40:37,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16 2026-02-10T11:40:37,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16 2026-02-10T11:40:37,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44 2026-02-10T11:40:37,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44 2026-02-10T11:40:37,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25 2026-02-10T11:40:37,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25 2026-02-10T11:40:37,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30 2026-02-10T11:40:37,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30 2026-02-10T11:40:37,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9 2026-02-10T11:40:37,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9 2026-02-10T11:40:37,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43 2026-02-10T11:40:37,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43 2026-02-10T11:40:37,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37 2026-02-10T11:40:37,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37 2026-02-10T11:40:37,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22 2026-02-10T11:40:37,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22 2026-02-10T11:40:37,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7 2026-02-10T11:40:37,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7 2026-02-10T11:40:37,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23 2026-02-10T11:40:37,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23 2026-02-10T11:40:37,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10 2026-02-10T11:40:37,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10 2026-02-10T11:40:37,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47 2026-02-10T11:40:37,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47 2026-02-10T11:40:37,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28 2026-02-10T11:40:37,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28 2026-02-10T11:40:37,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26 2026-02-10T11:40:37,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26 2026-02-10T11:40:37,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6 2026-02-10T11:40:37,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6 2026-02-10T11:40:37,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40 2026-02-10T11:40:37,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40 2026-02-10T11:40:37,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50 2026-02-10T11:40:37,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50 2026-02-10T11:40:37,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51 2026-02-10T11:40:37,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51 2026-02-10T11:40:37,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11 2026-02-10T11:40:37,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11 2026-02-10T11:40:37,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32 2026-02-10T11:40:37,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32 2026-02-10T11:40:37,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5 2026-02-10T11:40:37,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5 2026-02-10T11:40:37,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24 2026-02-10T11:40:37,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24 2026-02-10T11:40:37,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15 2026-02-10T11:40:37,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15 2026-02-10T11:40:37,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17 2026-02-10T11:40:37,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17 2026-02-10T11:40:37,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21 2026-02-10T11:40:37,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21 2026-02-10T11:40:37,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52 2026-02-10T11:40:37,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52 2026-02-10T11:40:37,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42 2026-02-10T11:40:37,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42 2026-02-10T11:40:37,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2 2026-02-10T11:40:37,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2 2026-02-10T11:40:37,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39 2026-02-10T11:40:37,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39 2026-02-10T11:40:37,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35 2026-02-10T11:40:37,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35 2026-02-10T11:40:37,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14 2026-02-10T11:40:37,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14 2026-02-10T11:40:37,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19 2026-02-10T11:40:37,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19 2026-02-10T11:40:37,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33 2026-02-10T11:40:37,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33 2026-02-10T11:40:37,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29 2026-02-10T11:40:37,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29 2026-02-10T11:40:37,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8 2026-02-10T11:40:37,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8 2026-02-10T11:40:37,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31 2026-02-10T11:40:37,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31 2026-02-10T11:40:37,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A 2026-02-10T11:40:37,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A 2026-02-10T11:40:37,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A 2026-02-10T11:40:37,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A 2026-02-10T11:40:37,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27 2026-02-10T11:40:37,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27 2026-02-10T11:40:37,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B 2026-02-10T11:40:37,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B 2026-02-10T11:40:37,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A 2026-02-10T11:40:37,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A 2026-02-10T11:40:37,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B 2026-02-10T11:40:37,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B 2026-02-10T11:40:37,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A 2026-02-10T11:40:37,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A 2026-02-10T11:40:37,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25 2026-02-10T11:40:37,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25 2026-02-10T11:40:37,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22 2026-02-10T11:40:37,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22 2026-02-10T11:40:37,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23 2026-02-10T11:40:37,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23 2026-02-10T11:40:37,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A 2026-02-10T11:40:37,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A 2026-02-10T11:40:37,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A 2026-02-10T11:40:37,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A 2026-02-10T11:40:37,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B 2026-02-10T11:40:37,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B 2026-02-10T11:40:37,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26 2026-02-10T11:40:37,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26 2026-02-10T11:40:37,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B 2026-02-10T11:40:37,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B 2026-02-10T11:40:37,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24 2026-02-10T11:40:37,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24 2026-02-10T11:40:37,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B 2026-02-10T11:40:37,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B 2026-02-10T11:40:37,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B 2026-02-10T11:40:37,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B 2026-02-10T11:40:37,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me 2026-02-10T11:40:37,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me 2026-02-10T11:40:37,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+ 2026-02-10T11:40:37,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+ 2026-02-10T11:40:37,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8 2026-02-10T11:40:37,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8 2026-02-10T11:40:37,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+ 2026-02-10T11:40:37,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+ 2026-02-10T11:40:37,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch 2026-02-10T11:40:37,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch 2026-02-10T11:40:37,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:40:37,241 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 2026-02-10T11:40:37,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c 2026-02-10T11:40:37,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c 2026-02-10T11:40:37,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:40:37,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:40:37,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:40:37,253 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 2026-02-10T11:40:37,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me 2026-02-10T11:40:37,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me 2026-02-10T11:40:37,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h 2026-02-10T11:40:37,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h 2026-02-10T11:40:37,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2 2026-02-10T11:40:37,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2 2026-02-10T11:40:37,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4 2026-02-10T11:40:37,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4 2026-02-10T11:40:37,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2 2026-02-10T11:40:37,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2 2026-02-10T11:40:37,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2 2026-02-10T11:40:37,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2 2026-02-10T11:40:37,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8 2026-02-10T11:40:37,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8 2026-02-10T11:40:37,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:40:37,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:40:37,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1 2026-02-10T11:40:37,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1 2026-02-10T11:40:37,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4 2026-02-10T11:40:37,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4 2026-02-10T11:40:37,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3 2026-02-10T11:40:37,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3 2026-02-10T11:40:37,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9 2026-02-10T11:40:37,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9 2026-02-10T11:40:37,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7 2026-02-10T11:40:37,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7 2026-02-10T11:40:37,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10 2026-02-10T11:40:37,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10 2026-02-10T11:40:37,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6 2026-02-10T11:40:37,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6 2026-02-10T11:40:37,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5 2026-02-10T11:40:37,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5 2026-02-10T11:40:37,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2 2026-02-10T11:40:37,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2 2026-02-10T11:40:37,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8 2026-02-10T11:40:37,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8 2026-02-10T11:40:37,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts 2026-02-10T11:40:37,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts 2026-02-10T11:40:37,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20 2026-02-10T11:40:37,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20 2026-02-10T11:40:37,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8 2026-02-10T11:40:37,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8 2026-02-10T11:40:37,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh 2026-02-10T11:40:37,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh 2026-02-10T11:40:37,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc 2026-02-10T11:40:37,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc 2026-02-10T11:40:37,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh- 2026-02-10T11:40:37,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh- 2026-02-10T11:40:37,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19 2026-02-10T11:40:37,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19 2026-02-10T11:40:37,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts 2026-02-10T11:40:37,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts 2026-02-10T11:40:37,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:40:37,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:40:37,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf 2026-02-10T11:40:37,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf 2026-02-10T11:40:37,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co 2026-02-10T11:40:37,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co 2026-02-10T11:40:37,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots 2026-02-10T11:40:37,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots 2026-02-10T11:40:37,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:40:37,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:40:37,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07 2026-02-10T11:40:37,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07 2026-02-10T11:40:37,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts 2026-02-10T11:40:37,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts 2026-02-10T11:40:37,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2 2026-02-10T11:40:37,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2 2026-02-10T11:40:37,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:40:37,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:40:37,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4 2026-02-10T11:40:37,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4 2026-02-10T11:40:37,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f- 2026-02-10T11:40:37,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f- 2026-02-10T11:40:37,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O 2026-02-10T11:40:37,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O 2026-02-10T11:40:37,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2 2026-02-10T11:40:37,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2 2026-02-10T11:40:37,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2 2026-02-10T11:40:37,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2 2026-02-10T11:40:37,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3 2026-02-10T11:40:37,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3 2026-02-10T11:40:37,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17 2026-02-10T11:40:37,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17 2026-02-10T11:40:37,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22 2026-02-10T11:40:37,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22 2026-02-10T11:40:37,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14 2026-02-10T11:40:37,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14 2026-02-10T11:40:37,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13 2026-02-10T11:40:37,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13 2026-02-10T11:40:37,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H 2026-02-10T11:40:37,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H 2026-02-10T11:40:37,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:40:37,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:40:37,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS 2026-02-10T11:40:37,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS 2026-02-10T11:40:37,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl- 2026-02-10T11:40:37,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl- 2026-02-10T11:40:37,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:40:37,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:40:37,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S 2026-02-10T11:40:37,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S 2026-02-10T11:40:37,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf 2026-02-10T11:40:37,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf 2026-02-10T11:40:37,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04 2026-02-10T11:40:37,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04 2026-02-10T11:40:37,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3 2026-02-10T11:40:37,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3 2026-02-10T11:40:37,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02 2026-02-10T11:40:37,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02 2026-02-10T11:40:37,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco 2026-02-10T11:40:37,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco 2026-02-10T11:40:37,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16 2026-02-10T11:40:37,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16 2026-02-10T11:40:37,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h 2026-02-10T11:40:37,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h 2026-02-10T11:40:37,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18 2026-02-10T11:40:37,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18 2026-02-10T11:40:37,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:40:37,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:40:37,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6 2026-02-10T11:40:37,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6 2026-02-10T11:40:37,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts 2026-02-10T11:40:37,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts 2026-02-10T11:40:37,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4 2026-02-10T11:40:37,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4 2026-02-10T11:40:37,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2 2026-02-10T11:40:37,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2 2026-02-10T11:40:37,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11 2026-02-10T11:40:37,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11 2026-02-10T11:40:37,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts 2026-02-10T11:40:37,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts 2026-02-10T11:40:37,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts 2026-02-10T11:40:37,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts 2026-02-10T11:40:37,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01 2026-02-10T11:40:37,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01 2026-02-10T11:40:37,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10 2026-02-10T11:40:37,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10 2026-02-10T11:40:37,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts 2026-02-10T11:40:37,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts 2026-02-10T11:40:37,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH 2026-02-10T11:40:37,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH 2026-02-10T11:40:37,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts 2026-02-10T11:40:37,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts 2026-02-10T11:40:37,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2 2026-02-10T11:40:37,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2 2026-02-10T11:40:37,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5 2026-02-10T11:40:37,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5 2026-02-10T11:40:37,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12 2026-02-10T11:40:37,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12 2026-02-10T11:40:37,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06 2026-02-10T11:40:37,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06 2026-02-10T11:40:37,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh 2026-02-10T11:40:37,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh 2026-02-10T11:40:37,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15 2026-02-10T11:40:37,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15 2026-02-10T11:40:37,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7 2026-02-10T11:40:37,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7 2026-02-10T11:40:37,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O 2026-02-10T11:40:37,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O 2026-02-10T11:40:37,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08 2026-02-10T11:40:37,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08 2026-02-10T11:40:37,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts 2026-02-10T11:40:37,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts 2026-02-10T11:40:37,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05 2026-02-10T11:40:37,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05 2026-02-10T11:40:37,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts 2026-02-10T11:40:37,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts 2026-02-10T11:40:37,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f 2026-02-10T11:40:37,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f 2026-02-10T11:40:37,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl 2026-02-10T11:40:37,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl 2026-02-10T11:40:37,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2 2026-02-10T11:40:37,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2 2026-02-10T11:40:37,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts 2026-02-10T11:40:37,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts 2026-02-10T11:40:37,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts 2026-02-10T11:40:37,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts 2026-02-10T11:40:37,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03 2026-02-10T11:40:37,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03 2026-02-10T11:40:37,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts 2026-02-10T11:40:37,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts 2026-02-10T11:40:37,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts 2026-02-10T11:40:37,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts 2026-02-10T11:40:37,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts 2026-02-10T11:40:37,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts 2026-02-10T11:40:37,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2 2026-02-10T11:40:37,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2 2026-02-10T11:40:37,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o 2026-02-10T11:40:37,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o 2026-02-10T11:40:37,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl 2026-02-10T11:40:37,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl 2026-02-10T11:40:37,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f 2026-02-10T11:40:37,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f 2026-02-10T11:40:37,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3 2026-02-10T11:40:37,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3 2026-02-10T11:40:37,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21 2026-02-10T11:40:37,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21 2026-02-10T11:40:37,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn 2026-02-10T11:40:37,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn 2026-02-10T11:40:37,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl 2026-02-10T11:40:37,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl 2026-02-10T11:40:37,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5 2026-02-10T11:40:37,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5 2026-02-10T11:40:37,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH 2026-02-10T11:40:37,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH 2026-02-10T11:40:37,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09 2026-02-10T11:40:37,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09 2026-02-10T11:40:37,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL 2026-02-10T11:40:37,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL 2026-02-10T11:40:37,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:40:37,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:40:37,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:40:37,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:40:37,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N 2026-02-10T11:40:37,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N 2026-02-10T11:40:37,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:40:37,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:40:37,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:40:37,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:40:37,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:40:37,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:40:37,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:40:37,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:40:37,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:40:37,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:40:37,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:40:37,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:40:37,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:40:37,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:40:37,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:40:37,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:40:37,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O 2026-02-10T11:40:37,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O 2026-02-10T11:40:37,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:40:37,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:40:37,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N 2026-02-10T11:40:37,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N 2026-02-10T11:40:37,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N 2026-02-10T11:40:37,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N 2026-02-10T11:40:37,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:40:37,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:40:37,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:40:37,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:40:37,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL 2026-02-10T11:40:37,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL 2026-02-10T11:40:37,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:40:37,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:40:37,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:40:37,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:40:37,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:40:37,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:40:37,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:40:37,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:40:37,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:40:37,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:40:37,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL 2026-02-10T11:40:37,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL 2026-02-10T11:40:37,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:40:37,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:40:37,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O 2026-02-10T11:40:37,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O 2026-02-10T11:40:37,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:40:37,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:40:37,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O 2026-02-10T11:40:37,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O 2026-02-10T11:40:37,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:40:37,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:40:37,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:40:37,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:40:37,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:40:37,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:40:37,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:40:37,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:40:37,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL 2026-02-10T11:40:37,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL 2026-02-10T11:40:37,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N 2026-02-10T11:40:37,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N 2026-02-10T11:40:37,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O 2026-02-10T11:40:37,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O 2026-02-10T11:40:37,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37 2026-02-10T11:40:37,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37 2026-02-10T11:40:37,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41 2026-02-10T11:40:37,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41 2026-02-10T11:40:37,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25 2026-02-10T11:40:37,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25 2026-02-10T11:40:37,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39 2026-02-10T11:40:37,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39 2026-02-10T11:40:37,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45 2026-02-10T11:40:37,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45 2026-02-10T11:40:37,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24 2026-02-10T11:40:37,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24 2026-02-10T11:40:37,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23 2026-02-10T11:40:37,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23 2026-02-10T11:40:37,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19 2026-02-10T11:40:37,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19 2026-02-10T11:40:37,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21 2026-02-10T11:40:37,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21 2026-02-10T11:40:37,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45 2026-02-10T11:40:37,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45 2026-02-10T11:40:37,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26 2026-02-10T11:40:37,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26 2026-02-10T11:40:37,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40 2026-02-10T11:40:37,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40 2026-02-10T11:40:37,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44 2026-02-10T11:40:37,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44 2026-02-10T11:40:37,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37 2026-02-10T11:40:37,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37 2026-02-10T11:40:37,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9 2026-02-10T11:40:37,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9 2026-02-10T11:40:37,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3 2026-02-10T11:40:37,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3 2026-02-10T11:40:37,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6 2026-02-10T11:40:37,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6 2026-02-10T11:40:37,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4 2026-02-10T11:40:37,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4 2026-02-10T11:40:37,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20 2026-02-10T11:40:37,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20 2026-02-10T11:40:37,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27 2026-02-10T11:40:37,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27 2026-02-10T11:40:37,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43 2026-02-10T11:40:37,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43 2026-02-10T11:40:37,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6 2026-02-10T11:40:37,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6 2026-02-10T11:40:37,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36 2026-02-10T11:40:37,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36 2026-02-10T11:40:37,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26 2026-02-10T11:40:37,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26 2026-02-10T11:40:37,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36 2026-02-10T11:40:37,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36 2026-02-10T11:40:37,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30 2026-02-10T11:40:37,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30 2026-02-10T11:40:37,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22 2026-02-10T11:40:37,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22 2026-02-10T11:40:37,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10 2026-02-10T11:40:37,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10 2026-02-10T11:40:37,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20 2026-02-10T11:40:37,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20 2026-02-10T11:40:37,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11 2026-02-10T11:40:37,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11 2026-02-10T11:40:37,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7 2026-02-10T11:40:37,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7 2026-02-10T11:40:37,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34 2026-02-10T11:40:37,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34 2026-02-10T11:40:37,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7 2026-02-10T11:40:37,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7 2026-02-10T11:40:37,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32 2026-02-10T11:40:37,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32 2026-02-10T11:40:37,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30 2026-02-10T11:40:37,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30 2026-02-10T11:40:37,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44 2026-02-10T11:40:37,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44 2026-02-10T11:40:37,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42 2026-02-10T11:40:37,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42 2026-02-10T11:40:37,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1 2026-02-10T11:40:37,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1 2026-02-10T11:40:37,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12 2026-02-10T11:40:37,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12 2026-02-10T11:40:37,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4 2026-02-10T11:40:37,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4 2026-02-10T11:40:37,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43 2026-02-10T11:40:37,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43 2026-02-10T11:40:37,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15 2026-02-10T11:40:37,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15 2026-02-10T11:40:37,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15 2026-02-10T11:40:37,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15 2026-02-10T11:40:37,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2 2026-02-10T11:40:37,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2 2026-02-10T11:40:37,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22 2026-02-10T11:40:37,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22 2026-02-10T11:40:37,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23 2026-02-10T11:40:37,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23 2026-02-10T11:40:37,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38 2026-02-10T11:40:37,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38 2026-02-10T11:40:37,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24 2026-02-10T11:40:37,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24 2026-02-10T11:40:37,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16 2026-02-10T11:40:37,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16 2026-02-10T11:40:37,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34 2026-02-10T11:40:37,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34 2026-02-10T11:40:37,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10 2026-02-10T11:40:37,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10 2026-02-10T11:40:37,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17 2026-02-10T11:40:37,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17 2026-02-10T11:40:37,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17 2026-02-10T11:40:37,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17 2026-02-10T11:40:37,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3 2026-02-10T11:40:37,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3 2026-02-10T11:40:37,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35 2026-02-10T11:40:37,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35 2026-02-10T11:40:37,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21 2026-02-10T11:40:37,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21 2026-02-10T11:40:37,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27 2026-02-10T11:40:37,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27 2026-02-10T11:40:37,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13 2026-02-10T11:40:37,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13 2026-02-10T11:40:37,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5 2026-02-10T11:40:37,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5 2026-02-10T11:40:37,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31 2026-02-10T11:40:37,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31 2026-02-10T11:40:37,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35 2026-02-10T11:40:37,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35 2026-02-10T11:40:37,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8 2026-02-10T11:40:37,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8 2026-02-10T11:40:37,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29 2026-02-10T11:40:37,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29 2026-02-10T11:40:37,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1 2026-02-10T11:40:37,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1 2026-02-10T11:40:37,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2 2026-02-10T11:40:37,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2 2026-02-10T11:40:37,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42 2026-02-10T11:40:37,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42 2026-02-10T11:40:37,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5 2026-02-10T11:40:37,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5 2026-02-10T11:40:37,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33 2026-02-10T11:40:37,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33 2026-02-10T11:40:37,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38 2026-02-10T11:40:37,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38 2026-02-10T11:40:37,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31 2026-02-10T11:40:37,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31 2026-02-10T11:40:37,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33 2026-02-10T11:40:37,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33 2026-02-10T11:40:37,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16 2026-02-10T11:40:37,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16 2026-02-10T11:40:37,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9 2026-02-10T11:40:37,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9 2026-02-10T11:40:37,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11 2026-02-10T11:40:37,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11 2026-02-10T11:40:37,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12 2026-02-10T11:40:37,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12 2026-02-10T11:40:37,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8 2026-02-10T11:40:37,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8 2026-02-10T11:40:37,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29 2026-02-10T11:40:37,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29 2026-02-10T11:40:38,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25 2026-02-10T11:40:38,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25 2026-02-10T11:40:38,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13 2026-02-10T11:40:38,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13 2026-02-10T11:40:38,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40 2026-02-10T11:40:38,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40 2026-02-10T11:40:38,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28 2026-02-10T11:40:38,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28 2026-02-10T11:40:38,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18 2026-02-10T11:40:38,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18 2026-02-10T11:40:38,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41 2026-02-10T11:40:38,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41 2026-02-10T11:40:38,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19 2026-02-10T11:40:38,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19 2026-02-10T11:40:38,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18 2026-02-10T11:40:38,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18 2026-02-10T11:40:38,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39 2026-02-10T11:40:38,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39 2026-02-10T11:40:38,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32 2026-02-10T11:40:38,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32 2026-02-10T11:40:38,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28 2026-02-10T11:40:38,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28 2026-02-10T11:40:38,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo 2026-02-10T11:40:38,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo 2026-02-10T11:40:38,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef 2026-02-10T11:40:38,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef 2026-02-10T11:40:38,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:40:38,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:40:38,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o 2026-02-10T11:40:38,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o 2026-02-10T11:40:38,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be 2026-02-10T11:40:38,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be 2026-02-10T11:40:38,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na 2026-02-10T11:40:38,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na 2026-02-10T11:40:38,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf 2026-02-10T11:40:38,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf 2026-02-10T11:40:38,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao 2026-02-10T11:40:38,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao 2026-02-10T11:40:38,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h 2026-02-10T11:40:38,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h 2026-02-10T11:40:38,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca 2026-02-10T11:40:38,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca 2026-02-10T11:40:38,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li 2026-02-10T11:40:38,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li 2026-02-10T11:40:38,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s 2026-02-10T11:40:38,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s 2026-02-10T11:40:38,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k 2026-02-10T11:40:38,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k 2026-02-10T11:40:38,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg 2026-02-10T11:40:38,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg 2026-02-10T11:40:38,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf 2026-02-10T11:40:38,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf 2026-02-10T11:40:38,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f 2026-02-10T11:40:38,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f 2026-02-10T11:40:38,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:40:38,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:40:38,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao 2026-02-10T11:40:38,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao 2026-02-10T11:40:38,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio 2026-02-10T11:40:38,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio 2026-02-10T11:40:38,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif 2026-02-10T11:40:38,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif 2026-02-10T11:40:38,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1 2026-02-10T11:40:38,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1 2026-02-10T11:40:38,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128 2026-02-10T11:40:38,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128 2026-02-10T11:40:38,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18 2026-02-10T11:40:38,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18 2026-02-10T11:40:38,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117 2026-02-10T11:40:38,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117 2026-02-10T11:40:38,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97 2026-02-10T11:40:38,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97 2026-02-10T11:40:38,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34 2026-02-10T11:40:38,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34 2026-02-10T11:40:38,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13 2026-02-10T11:40:38,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13 2026-02-10T11:40:38,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126 2026-02-10T11:40:38,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126 2026-02-10T11:40:38,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94 2026-02-10T11:40:38,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94 2026-02-10T11:40:38,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62 2026-02-10T11:40:38,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62 2026-02-10T11:40:38,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82 2026-02-10T11:40:38,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82 2026-02-10T11:40:38,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45 2026-02-10T11:40:38,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45 2026-02-10T11:40:38,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104 2026-02-10T11:40:38,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104 2026-02-10T11:40:38,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66 2026-02-10T11:40:38,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66 2026-02-10T11:40:38,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61 2026-02-10T11:40:38,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61 2026-02-10T11:40:38,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118 2026-02-10T11:40:38,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118 2026-02-10T11:40:38,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59 2026-02-10T11:40:38,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59 2026-02-10T11:40:38,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73 2026-02-10T11:40:38,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73 2026-02-10T11:40:38,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100 2026-02-10T11:40:38,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100 2026-02-10T11:40:38,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88 2026-02-10T11:40:38,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88 2026-02-10T11:40:38,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25 2026-02-10T11:40:38,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25 2026-02-10T11:40:38,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30 2026-02-10T11:40:38,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30 2026-02-10T11:40:38,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67 2026-02-10T11:40:38,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67 2026-02-10T11:40:38,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57 2026-02-10T11:40:38,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57 2026-02-10T11:40:38,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56 2026-02-10T11:40:38,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56 2026-02-10T11:40:38,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22 2026-02-10T11:40:38,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22 2026-02-10T11:40:38,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23 2026-02-10T11:40:38,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23 2026-02-10T11:40:38,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47 2026-02-10T11:40:38,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47 2026-02-10T11:40:38,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26 2026-02-10T11:40:38,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26 2026-02-10T11:40:38,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6 2026-02-10T11:40:38,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6 2026-02-10T11:40:38,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40 2026-02-10T11:40:38,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40 2026-02-10T11:40:38,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51 2026-02-10T11:40:38,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51 2026-02-10T11:40:38,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11 2026-02-10T11:40:38,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11 2026-02-10T11:40:38,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32 2026-02-10T11:40:38,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32 2026-02-10T11:40:38,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106 2026-02-10T11:40:38,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106 2026-02-10T11:40:38,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24 2026-02-10T11:40:38,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24 2026-02-10T11:40:38,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121 2026-02-10T11:40:38,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121 2026-02-10T11:40:38,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21 2026-02-10T11:40:38,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21 2026-02-10T11:40:38,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60 2026-02-10T11:40:38,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60 2026-02-10T11:40:38,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52 2026-02-10T11:40:38,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52 2026-02-10T11:40:38,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39 2026-02-10T11:40:38,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39 2026-02-10T11:40:38,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113 2026-02-10T11:40:38,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113 2026-02-10T11:40:38,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14 2026-02-10T11:40:38,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14 2026-02-10T11:40:38,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33 2026-02-10T11:40:38,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33 2026-02-10T11:40:38,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68 2026-02-10T11:40:38,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68 2026-02-10T11:40:38,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58 2026-02-10T11:40:38,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58 2026-02-10T11:40:38,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8 2026-02-10T11:40:38,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8 2026-02-10T11:40:38,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane 2026-02-10T11:40:38,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane 2026-02-10T11:40:38,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:40:38,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:40:38,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran 2026-02-10T11:40:38,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran 2026-02-10T11:40:38,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:40:38,283 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 2026-02-10T11:40:38,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:40:38,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:40:38,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran 2026-02-10T11:40:38,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran 2026-02-10T11:40:38,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:40:38,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:40:38,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene 2026-02-10T11:40:38,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene 2026-02-10T11:40:38,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene 2026-02-10T11:40:38,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene 2026-02-10T11:40:38,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne 2026-02-10T11:40:38,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne 2026-02-10T11:40:38,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN 2026-02-10T11:40:38,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN 2026-02-10T11:40:38,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:40:38,309 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 2026-02-10T11:40:38,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane 2026-02-10T11:40:38,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane 2026-02-10T11:40:38,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2 2026-02-10T11:40:38,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2 2026-02-10T11:40:38,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol 2026-02-10T11:40:38,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol 2026-02-10T11:40:38,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:40:38,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:40:38,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O 2026-02-10T11:40:38,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O 2026-02-10T11:40:38,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:40:38,329 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 2026-02-10T11:40:38,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:40:38,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:40:38,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole 2026-02-10T11:40:38,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole 2026-02-10T11:40:38,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:40:38,339 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 2026-02-10T11:40:38,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:40:38,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:40:38,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:40:38,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:40:38,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione 2026-02-10T11:40:38,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione 2026-02-10T11:40:38,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN 2026-02-10T11:40:38,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN 2026-02-10T11:40:38,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene 2026-02-10T11:40:38,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene 2026-02-10T11:40:38,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:40:38,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:40:38,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol 2026-02-10T11:40:38,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol 2026-02-10T11:40:38,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S 2026-02-10T11:40:38,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S 2026-02-10T11:40:38,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:40:38,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:40:38,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO 2026-02-10T11:40:38,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO 2026-02-10T11:40:38,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:40:38,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:40:38,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:40:38,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:40:38,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:40:38,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:40:38,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine 2026-02-10T11:40:38,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine 2026-02-10T11:40:38,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2 2026-02-10T11:40:38,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2 2026-02-10T11:40:38,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:40:38,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:40:38,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO 2026-02-10T11:40:38,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO 2026-02-10T11:40:38,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:40:38,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:40:38,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:40:38,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:40:38,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:40:38,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:40:38,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene 2026-02-10T11:40:38,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene 2026-02-10T11:40:38,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane 2026-02-10T11:40:38,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane 2026-02-10T11:40:38,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:40:38,417 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 2026-02-10T11:40:38,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:40:38,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:40:38,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:40:38,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:40:38,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2 2026-02-10T11:40:38,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2 2026-02-10T11:40:38,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne 2026-02-10T11:40:38,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne 2026-02-10T11:40:38,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne 2026-02-10T11:40:38,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne 2026-02-10T11:40:38,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:40:38,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:40:38,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene 2026-02-10T11:40:38,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene 2026-02-10T11:40:38,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:40:38,443 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 2026-02-10T11:40:38,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine 2026-02-10T11:40:38,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine 2026-02-10T11:40:38,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:40:38,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:40:38,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene 2026-02-10T11:40:38,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene 2026-02-10T11:40:38,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:40:38,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:40:38,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:40:38,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:40:38,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:40:38,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:40:38,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:40:38,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:40:38,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl 2026-02-10T11:40:38,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl 2026-02-10T11:40:38,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:40:38,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:40:38,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:40:38,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:40:38,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne 2026-02-10T11:40:38,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne 2026-02-10T11:40:38,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:40:38,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:40:38,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol 2026-02-10T11:40:38,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol 2026-02-10T11:40:38,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2 2026-02-10T11:40:38,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2 2026-02-10T11:40:38,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene 2026-02-10T11:40:38,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene 2026-02-10T11:40:38,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:40:38,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:40:38,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O 2026-02-10T11:40:38,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O 2026-02-10T11:40:38,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:40:38,503 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 2026-02-10T11:40:38,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:40:38,508 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 2026-02-10T11:40:38,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene 2026-02-10T11:40:38,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene 2026-02-10T11:40:38,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane 2026-02-10T11:40:38,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane 2026-02-10T11:40:38,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:40:38,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:40:38,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:40:38,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:40:38,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:40:38,524 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 2026-02-10T11:40:38,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH 2026-02-10T11:40:38,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH 2026-02-10T11:40:38,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol 2026-02-10T11:40:38,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol 2026-02-10T11:40:38,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2 2026-02-10T11:40:38,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2 2026-02-10T11:40:38,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:40:38,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:40:38,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:40:38,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:40:38,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:40:38,544 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 2026-02-10T11:40:38,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:40:38,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:40:38,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3 2026-02-10T11:40:38,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3 2026-02-10T11:40:38,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:40:38,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:40:38,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:40:38,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:40:38,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:40:38,564 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 2026-02-10T11:40:38,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:40:38,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:40:38,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:40:38,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:40:38,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:40:38,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:40:38,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:40:38,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:40:38,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br 2026-02-10T11:40:38,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br 2026-02-10T11:40:38,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:40:38,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:40:38,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:40:38,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:40:38,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:40:38,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:40:38,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:40:38,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:40:38,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:40:38,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:40:38,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:40:38,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:40:38,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:40:38,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:40:38,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:40:38,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:40:38,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:40:38,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:40:38,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:40:38,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:40:38,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:40:38,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:40:38,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:40:38,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:40:38,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:40:38,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:40:38,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:40:38,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:40:38,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:40:38,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:40:38,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:40:38,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:40:38,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:40:38,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:40:38,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:40:38,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:40:38,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:40:38,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:40:38,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:40:38,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:40:38,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s 2026-02-10T11:40:38,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s 2026-02-10T11:40:38,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3 2026-02-10T11:40:38,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3 2026-02-10T11:40:38,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:40:38,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:40:38,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:40:38,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:40:38,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be 2026-02-10T11:40:38,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be 2026-02-10T11:40:38,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:40:38,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:40:38,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:40:38,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:40:38,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:40:38,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:40:38,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3 2026-02-10T11:40:38,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3 2026-02-10T11:40:38,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:40:38,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:40:38,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg 2026-02-10T11:40:38,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg 2026-02-10T11:40:38,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:40:38,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:40:38,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:40:38,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:40:38,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:40:38,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:40:38,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:40:38,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:40:38,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:40:38,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:40:38,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:40:38,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:40:38,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:40:38,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:40:38,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1 2026-02-10T11:40:38,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1 2026-02-10T11:40:38,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:40:38,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:40:38,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:40:38,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:40:38,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:40:38,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:40:38,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:40:38,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:40:38,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:40:38,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:40:38,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:40:38,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:40:38,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:40:38,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:40:38,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:40:38,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:40:38,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:40:38,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:40:38,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:40:38,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:40:38,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:40:38,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:40:38,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:40:38,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:40:38,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:40:38,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:40:38,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:40:38,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:40:38,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2 2026-02-10T11:40:38,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2 2026-02-10T11:40:38,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:40:38,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:40:38,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:40:38,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:40:38,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:40:38,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:40:38,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:40:38,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:40:38,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:40:38,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:40:38,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:40:38,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:40:38,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:40:38,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:40:38,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:40:38,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:40:38,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:40:38,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:40:38,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:40:38,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:40:38,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2 2026-02-10T11:40:38,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2 2026-02-10T11:40:38,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:40:38,817 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 2026-02-10T11:40:38,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:40:38,821 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 2026-02-10T11:40:38,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2 2026-02-10T11:40:38,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2 2026-02-10T11:40:38,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4 2026-02-10T11:40:38,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4 2026-02-10T11:40:38,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3 2026-02-10T11:40:38,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3 2026-02-10T11:40:38,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4 2026-02-10T11:40:38,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4 2026-02-10T11:40:38,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:40:38,841 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 2026-02-10T11:40:38,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:40:38,845 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 2026-02-10T11:40:38,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3 2026-02-10T11:40:38,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3 2026-02-10T11:40:38,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:40:38,854 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 2026-02-10T11:40:38,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5 2026-02-10T11:40:38,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5 2026-02-10T11:40:38,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:40:38,862 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 2026-02-10T11:40:38,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf 2026-02-10T11:40:38,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf 2026-02-10T11:40:38,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:40:38,871 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 2026-02-10T11:40:38,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:40:38,875 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 2026-02-10T11:40:38,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:40:38,880 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 2026-02-10T11:40:38,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6 2026-02-10T11:40:38,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6 2026-02-10T11:40:38,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4 2026-02-10T11:40:38,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4 2026-02-10T11:40:38,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o 2026-02-10T11:40:38,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o 2026-02-10T11:40:38,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6 2026-02-10T11:40:38,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6 2026-02-10T11:40:38,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:40:38,898 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 2026-02-10T11:40:38,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3 2026-02-10T11:40:38,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3 2026-02-10T11:40:38,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:40:38,905 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 2026-02-10T11:40:38,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:40:38,908 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 2026-02-10T11:40:38,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5 2026-02-10T11:40:38,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5 2026-02-10T11:40:38,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2 2026-02-10T11:40:38,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2 2026-02-10T11:40:38,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3 2026-02-10T11:40:38,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3 2026-02-10T11:40:38,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:40:38,921 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 2026-02-10T11:40:38,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:40:38,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:40:38,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:40:38,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:40:38,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:40:38,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:40:38,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s 2026-02-10T11:40:38,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s 2026-02-10T11:40:38,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3 2026-02-10T11:40:38,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3 2026-02-10T11:40:38,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:40:38,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:40:38,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:40:38,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:40:38,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:40:38,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:40:38,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:40:38,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:40:38,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:40:38,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:40:38,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:40:38,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:40:38,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:40:38,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:40:38,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o 2026-02-10T11:40:38,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o 2026-02-10T11:40:38,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:40:38,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:40:38,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi 2026-02-10T11:40:38,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi 2026-02-10T11:40:38,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:40:38,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:40:38,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:40:38,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:40:38,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:40:38,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:40:38,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:40:38,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:40:38,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:40:38,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:40:38,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:40:38,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:40:38,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:40:38,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:40:38,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr 2026-02-10T11:40:38,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr 2026-02-10T11:40:39,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:40:39,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:40:39,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:40:39,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:40:39,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3 2026-02-10T11:40:39,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3 2026-02-10T11:40:39,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:40:39,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:40:39,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:40:39,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:40:39,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:40:39,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:40:39,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:40:39,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:40:39,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl 2026-02-10T11:40:39,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl 2026-02-10T11:40:39,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:40:39,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:40:39,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:40:39,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:40:39,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:40:39,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:40:39,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:40:39,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:40:39,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:40:39,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:40:39,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:40:39,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:40:39,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2 2026-02-10T11:40:39,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2 2026-02-10T11:40:39,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2 2026-02-10T11:40:39,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2 2026-02-10T11:40:39,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l 2026-02-10T11:40:39,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l 2026-02-10T11:40:39,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f 2026-02-10T11:40:39,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f 2026-02-10T11:40:39,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1 2026-02-10T11:40:39,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1 2026-02-10T11:40:39,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant 2026-02-10T11:40:39,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant 2026-02-10T11:40:39,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2 2026-02-10T11:40:39,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2 2026-02-10T11:40:39,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l 2026-02-10T11:40:39,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l 2026-02-10T11:40:39,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene 2026-02-10T11:40:39,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene 2026-02-10T11:40:39,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22 2026-02-10T11:40:39,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22 2026-02-10T11:40:39,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1 2026-02-10T11:40:39,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1 2026-02-10T11:40:39,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f 2026-02-10T11:40:39,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f 2026-02-10T11:40:39,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer 2026-02-10T11:40:39,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer 2026-02-10T11:40:39,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2 2026-02-10T11:40:39,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2 2026-02-10T11:40:39,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:40:39,098 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 2026-02-10T11:40:39,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:40:39,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:40:39,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:40:39,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:40:39,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:40:39,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:40:39,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:40:39,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:40:39,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:40:39,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:40:39,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3 2026-02-10T11:40:39,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3 2026-02-10T11:40:39,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2 2026-02-10T11:40:39,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2 2026-02-10T11:40:39,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:40:39,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:40:39,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:40:39,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:40:39,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3 2026-02-10T11:40:39,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3 2026-02-10T11:40:39,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS 2026-02-10T11:40:39,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS 2026-02-10T11:40:39,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:40:39,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:40:39,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:40:39,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:40:39,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O 2026-02-10T11:40:39,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O 2026-02-10T11:40:39,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3 2026-02-10T11:40:39,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3 2026-02-10T11:40:39,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3 2026-02-10T11:40:39,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3 2026-02-10T11:40:39,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:40:39,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:40:39,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether 2026-02-10T11:40:39,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether 2026-02-10T11:40:39,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph 2026-02-10T11:40:39,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph 2026-02-10T11:40:39,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S 2026-02-10T11:40:39,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S 2026-02-10T11:40:39,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:40:39,168 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 2026-02-10T11:40:39,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:40:39,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:40:39,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:40:39,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:40:39,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:40:39,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:40:39,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:40:39,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:40:39,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:40:39,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:40:39,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:40:39,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:40:39,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:40:39,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:40:39,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS 2026-02-10T11:40:39,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS 2026-02-10T11:40:39,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether 2026-02-10T11:40:39,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether 2026-02-10T11:40:39,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:40:39,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:40:39,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:40:39,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:40:39,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:40:39,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:40:39,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:40:39,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:40:39,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:40:39,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:40:39,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3 2026-02-10T11:40:39,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3 2026-02-10T11:40:39,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:40:39,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:40:39,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene 2026-02-10T11:40:39,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene 2026-02-10T11:40:39,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:40:39,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:40:39,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene 2026-02-10T11:40:39,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene 2026-02-10T11:40:39,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:40:39,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:40:39,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS 2026-02-10T11:40:39,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS 2026-02-10T11:40:39,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:40:39,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:40:39,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:40:39,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:40:39,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:40:39,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:40:39,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:40:39,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:40:39,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS 2026-02-10T11:40:39,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS 2026-02-10T11:40:39,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b 2026-02-10T11:40:39,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b 2026-02-10T11:40:39,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1 2026-02-10T11:40:39,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1 2026-02-10T11:40:39,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b 2026-02-10T11:40:39,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b 2026-02-10T11:40:39,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a 2026-02-10T11:40:39,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a 2026-02-10T11:40:39,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b 2026-02-10T11:40:39,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b 2026-02-10T11:40:39,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b 2026-02-10T11:40:39,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b 2026-02-10T11:40:39,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4 2026-02-10T11:40:39,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4 2026-02-10T11:40:39,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b 2026-02-10T11:40:39,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b 2026-02-10T11:40:39,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b 2026-02-10T11:40:39,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b 2026-02-10T11:40:39,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12 2026-02-10T11:40:39,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12 2026-02-10T11:40:39,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a 2026-02-10T11:40:39,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a 2026-02-10T11:40:39,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a 2026-02-10T11:40:39,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a 2026-02-10T11:40:39,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a 2026-02-10T11:40:39,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a 2026-02-10T11:40:39,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b 2026-02-10T11:40:39,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b 2026-02-10T11:40:39,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18 2026-02-10T11:40:39,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18 2026-02-10T11:40:39,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13 2026-02-10T11:40:39,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13 2026-02-10T11:40:39,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b 2026-02-10T11:40:39,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b 2026-02-10T11:40:39,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b 2026-02-10T11:40:39,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b 2026-02-10T11:40:39,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a 2026-02-10T11:40:39,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a 2026-02-10T11:40:39,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b 2026-02-10T11:40:39,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b 2026-02-10T11:40:39,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b 2026-02-10T11:40:39,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b 2026-02-10T11:40:39,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20 2026-02-10T11:40:39,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20 2026-02-10T11:40:39,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a 2026-02-10T11:40:39,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a 2026-02-10T11:40:39,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b 2026-02-10T11:40:39,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b 2026-02-10T11:40:39,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a 2026-02-10T11:40:39,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a 2026-02-10T11:40:39,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3 2026-02-10T11:40:39,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3 2026-02-10T11:40:39,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b 2026-02-10T11:40:39,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b 2026-02-10T11:40:39,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a 2026-02-10T11:40:39,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a 2026-02-10T11:40:39,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16 2026-02-10T11:40:39,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16 2026-02-10T11:40:39,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a 2026-02-10T11:40:39,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a 2026-02-10T11:40:39,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b 2026-02-10T11:40:39,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b 2026-02-10T11:40:39,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9 2026-02-10T11:40:39,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9 2026-02-10T11:40:39,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22 2026-02-10T11:40:39,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22 2026-02-10T11:40:39,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7 2026-02-10T11:40:39,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7 2026-02-10T11:40:39,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23 2026-02-10T11:40:39,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23 2026-02-10T11:40:39,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a 2026-02-10T11:40:39,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a 2026-02-10T11:40:39,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b 2026-02-10T11:40:39,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b 2026-02-10T11:40:39,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10 2026-02-10T11:40:39,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10 2026-02-10T11:40:39,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b 2026-02-10T11:40:39,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b 2026-02-10T11:40:39,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a 2026-02-10T11:40:39,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a 2026-02-10T11:40:39,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a 2026-02-10T11:40:39,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a 2026-02-10T11:40:39,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a 2026-02-10T11:40:39,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a 2026-02-10T11:40:39,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a 2026-02-10T11:40:39,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a 2026-02-10T11:40:39,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a 2026-02-10T11:40:39,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a 2026-02-10T11:40:39,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6 2026-02-10T11:40:39,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6 2026-02-10T11:40:39,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b 2026-02-10T11:40:39,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b 2026-02-10T11:40:39,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b 2026-02-10T11:40:39,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b 2026-02-10T11:40:39,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b 2026-02-10T11:40:39,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b 2026-02-10T11:40:39,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a 2026-02-10T11:40:39,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a 2026-02-10T11:40:39,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a 2026-02-10T11:40:39,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a 2026-02-10T11:40:39,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11 2026-02-10T11:40:39,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11 2026-02-10T11:40:39,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5 2026-02-10T11:40:39,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5 2026-02-10T11:40:39,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b 2026-02-10T11:40:39,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b 2026-02-10T11:40:39,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15 2026-02-10T11:40:39,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15 2026-02-10T11:40:39,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a 2026-02-10T11:40:39,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a 2026-02-10T11:40:39,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17 2026-02-10T11:40:39,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17 2026-02-10T11:40:39,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a 2026-02-10T11:40:39,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a 2026-02-10T11:40:39,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21 2026-02-10T11:40:39,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21 2026-02-10T11:40:39,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a 2026-02-10T11:40:39,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a 2026-02-10T11:40:39,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a 2026-02-10T11:40:39,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a 2026-02-10T11:40:39,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b 2026-02-10T11:40:39,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b 2026-02-10T11:40:39,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b 2026-02-10T11:40:39,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b 2026-02-10T11:40:39,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2 2026-02-10T11:40:39,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2 2026-02-10T11:40:39,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14 2026-02-10T11:40:39,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14 2026-02-10T11:40:39,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b 2026-02-10T11:40:39,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b 2026-02-10T11:40:39,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19 2026-02-10T11:40:39,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19 2026-02-10T11:40:39,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a 2026-02-10T11:40:39,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a 2026-02-10T11:40:39,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a 2026-02-10T11:40:39,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a 2026-02-10T11:40:39,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8 2026-02-10T11:40:39,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8 2026-02-10T11:40:39,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic 2026-02-10T11:40:39,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic 2026-02-10T11:40:39,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of 2026-02-10T11:40:39,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of 2026-02-10T11:40:39,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo 2026-02-10T11:40:39,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo 2026-02-10T11:40:39,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4 2026-02-10T11:40:39,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4 2026-02-10T11:40:39,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh 2026-02-10T11:40:39,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh 2026-02-10T11:40:39,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc 2026-02-10T11:40:39,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc 2026-02-10T11:40:39,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh 2026-02-10T11:40:39,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh 2026-02-10T11:40:39,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic 2026-02-10T11:40:39,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic 2026-02-10T11:40:39,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal 2026-02-10T11:40:39,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal 2026-02-10T11:40:39,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof 2026-02-10T11:40:39,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof 2026-02-10T11:40:39,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono 2026-02-10T11:40:39,530 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 2026-02-10T11:40:39,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene 2026-02-10T11:40:39,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene 2026-02-10T11:40:39,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:40:39,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:40:39,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:40:39,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:40:39,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2 2026-02-10T11:40:39,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2 2026-02-10T11:40:39,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh 2026-02-10T11:40:39,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh 2026-02-10T11:40:39,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf 2026-02-10T11:40:39,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf 2026-02-10T11:40:39,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2 2026-02-10T11:40:39,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2 2026-02-10T11:40:39,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2 2026-02-10T11:40:39,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2 2026-02-10T11:40:39,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof 2026-02-10T11:40:39,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof 2026-02-10T11:40:39,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf 2026-02-10T11:40:39,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf 2026-02-10T11:40:39,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s 2026-02-10T11:40:39,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s 2026-02-10T11:40:39,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf 2026-02-10T11:40:39,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf 2026-02-10T11:40:39,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co 2026-02-10T11:40:39,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co 2026-02-10T11:40:39,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3 2026-02-10T11:40:39,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3 2026-02-10T11:40:39,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3 2026-02-10T11:40:39,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3 2026-02-10T11:40:39,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn 2026-02-10T11:40:39,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn 2026-02-10T11:40:39,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol 2026-02-10T11:40:39,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol 2026-02-10T11:40:39,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh 2026-02-10T11:40:39,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh 2026-02-10T11:40:39,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2 2026-02-10T11:40:39,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2 2026-02-10T11:40:39,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol 2026-02-10T11:40:39,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol 2026-02-10T11:40:39,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2 2026-02-10T11:40:39,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2 2026-02-10T11:40:39,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f 2026-02-10T11:40:39,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f 2026-02-10T11:40:39,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6 2026-02-10T11:40:39,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6 2026-02-10T11:40:39,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4 2026-02-10T11:40:39,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4 2026-02-10T11:40:39,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs 2026-02-10T11:40:39,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs 2026-02-10T11:40:39,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn 2026-02-10T11:40:39,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn 2026-02-10T11:40:39,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3 2026-02-10T11:40:39,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3 2026-02-10T11:40:39,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b 2026-02-10T11:40:39,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b 2026-02-10T11:40:39,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2 2026-02-10T11:40:39,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2 2026-02-10T11:40:39,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2 2026-02-10T11:40:39,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2 2026-02-10T11:40:39,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl 2026-02-10T11:40:39,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl 2026-02-10T11:40:39,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh 2026-02-10T11:40:39,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh 2026-02-10T11:40:39,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:40:39,674 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 2026-02-10T11:40:39,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o 2026-02-10T11:40:39,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o 2026-02-10T11:40:39,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4 2026-02-10T11:40:39,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4 2026-02-10T11:40:39,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:40:39,684 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 2026-02-10T11:40:39,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6 2026-02-10T11:40:39,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6 2026-02-10T11:40:39,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno 2026-02-10T11:40:39,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno 2026-02-10T11:40:39,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2 2026-02-10T11:40:39,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2 2026-02-10T11:40:39,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo 2026-02-10T11:40:39,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo 2026-02-10T11:40:39,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn 2026-02-10T11:40:39,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn 2026-02-10T11:40:39,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne 2026-02-10T11:40:39,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne 2026-02-10T11:40:39,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2 2026-02-10T11:40:39,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2 2026-02-10T11:40:39,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o 2026-02-10T11:40:39,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o 2026-02-10T11:40:39,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:40:39,712 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 2026-02-10T11:40:39,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf 2026-02-10T11:40:39,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf 2026-02-10T11:40:39,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4 2026-02-10T11:40:39,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4 2026-02-10T11:40:39,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be 2026-02-10T11:40:39,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be 2026-02-10T11:40:39,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf 2026-02-10T11:40:39,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf 2026-02-10T11:40:39,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o 2026-02-10T11:40:39,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o 2026-02-10T11:40:39,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4 2026-02-10T11:40:39,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4 2026-02-10T11:40:39,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf 2026-02-10T11:40:39,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf 2026-02-10T11:40:39,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3 2026-02-10T11:40:39,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3 2026-02-10T11:40:39,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h 2026-02-10T11:40:39,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h 2026-02-10T11:40:39,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo 2026-02-10T11:40:39,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo 2026-02-10T11:40:39,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl 2026-02-10T11:40:39,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl 2026-02-10T11:40:39,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6 2026-02-10T11:40:39,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6 2026-02-10T11:40:39,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2 2026-02-10T11:40:39,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2 2026-02-10T11:40:39,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo 2026-02-10T11:40:39,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo 2026-02-10T11:40:39,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane 2026-02-10T11:40:39,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane 2026-02-10T11:40:39,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco 2026-02-10T11:40:39,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco 2026-02-10T11:40:39,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si 2026-02-10T11:40:39,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si 2026-02-10T11:40:39,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n 2026-02-10T11:40:39,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n 2026-02-10T11:40:39,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h 2026-02-10T11:40:39,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h 2026-02-10T11:40:39,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane 2026-02-10T11:40:39,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane 2026-02-10T11:40:39,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2 2026-02-10T11:40:39,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2 2026-02-10T11:40:39,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene 2026-02-10T11:40:39,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene 2026-02-10T11:40:39,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl 2026-02-10T11:40:39,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl 2026-02-10T11:40:39,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2 2026-02-10T11:40:39,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2 2026-02-10T11:40:39,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f 2026-02-10T11:40:39,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f 2026-02-10T11:40:39,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3 2026-02-10T11:40:39,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3 2026-02-10T11:40:39,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2 2026-02-10T11:40:39,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2 2026-02-10T11:40:39,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o 2026-02-10T11:40:39,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o 2026-02-10T11:40:39,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3 2026-02-10T11:40:39,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3 2026-02-10T11:40:39,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s 2026-02-10T11:40:39,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s 2026-02-10T11:40:39,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o 2026-02-10T11:40:39,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o 2026-02-10T11:40:39,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3 2026-02-10T11:40:39,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3 2026-02-10T11:40:39,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4 2026-02-10T11:40:39,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4 2026-02-10T11:40:39,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3 2026-02-10T11:40:39,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3 2026-02-10T11:40:39,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih 2026-02-10T11:40:39,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih 2026-02-10T11:40:39,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof 2026-02-10T11:40:39,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof 2026-02-10T11:40:39,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f 2026-02-10T11:40:39,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f 2026-02-10T11:40:39,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno 2026-02-10T11:40:39,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno 2026-02-10T11:40:39,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no 2026-02-10T11:40:39,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no 2026-02-10T11:40:39,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c 2026-02-10T11:40:39,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c 2026-02-10T11:40:39,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh 2026-02-10T11:40:39,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh 2026-02-10T11:40:39,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co 2026-02-10T11:40:39,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co 2026-02-10T11:40:39,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene 2026-02-10T11:40:39,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene 2026-02-10T11:40:39,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn 2026-02-10T11:40:39,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn 2026-02-10T11:40:39,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs 2026-02-10T11:40:39,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs 2026-02-10T11:40:39,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p 2026-02-10T11:40:39,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p 2026-02-10T11:40:39,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:40:39,864 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 2026-02-10T11:40:39,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch 2026-02-10T11:40:39,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch 2026-02-10T11:40:39,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3 2026-02-10T11:40:39,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3 2026-02-10T11:40:39,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh 2026-02-10T11:40:39,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh 2026-02-10T11:40:39,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2 2026-02-10T11:40:39,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2 2026-02-10T11:40:39,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2 2026-02-10T11:40:39,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2 2026-02-10T11:40:39,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f 2026-02-10T11:40:39,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f 2026-02-10T11:40:39,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2 2026-02-10T11:40:39,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2 2026-02-10T11:40:39,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs 2026-02-10T11:40:39,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs 2026-02-10T11:40:39,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi 2026-02-10T11:40:39,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi 2026-02-10T11:40:39,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl 2026-02-10T11:40:39,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl 2026-02-10T11:40:39,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2 2026-02-10T11:40:39,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2 2026-02-10T11:40:39,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene 2026-02-10T11:40:39,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene 2026-02-10T11:40:39,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo 2026-02-10T11:40:39,910 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 2026-02-10T11:40:39,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2 2026-02-10T11:40:39,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2 2026-02-10T11:40:39,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf 2026-02-10T11:40:39,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf 2026-02-10T11:40:39,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so 2026-02-10T11:40:39,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so 2026-02-10T11:40:39,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch 2026-02-10T11:40:39,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch 2026-02-10T11:40:39,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2 2026-02-10T11:40:39,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2 2026-02-10T11:40:39,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane 2026-02-10T11:40:39,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane 2026-02-10T11:40:39,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o 2026-02-10T11:40:39,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o 2026-02-10T11:40:39,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc 2026-02-10T11:40:39,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc 2026-02-10T11:40:39,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:40:39,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:40:39,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3 2026-02-10T11:40:39,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3 2026-02-10T11:40:39,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c 2026-02-10T11:40:39,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c 2026-02-10T11:40:39,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2 2026-02-10T11:40:39,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2 2026-02-10T11:40:39,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco 2026-02-10T11:40:39,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco 2026-02-10T11:40:39,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2 2026-02-10T11:40:39,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2 2026-02-10T11:40:39,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn 2026-02-10T11:40:39,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn 2026-02-10T11:40:39,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:40:39,962 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 2026-02-10T11:40:39,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f 2026-02-10T11:40:39,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f 2026-02-10T11:40:39,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn 2026-02-10T11:40:39,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn 2026-02-10T11:40:39,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co 2026-02-10T11:40:39,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co 2026-02-10T11:40:39,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:40:39,975 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 2026-02-10T11:40:39,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif 2026-02-10T11:40:39,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif 2026-02-10T11:40:39,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4 2026-02-10T11:40:39,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4 2026-02-10T11:40:39,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3 2026-02-10T11:40:39,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3 2026-02-10T11:40:39,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2 2026-02-10T11:40:39,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2 2026-02-10T11:40:39,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al 2026-02-10T11:40:39,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al 2026-02-10T11:40:39,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh 2026-02-10T11:40:39,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh 2026-02-10T11:40:39,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono 2026-02-10T11:40:39,997 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 2026-02-10T11:40:39,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn 2026-02-10T11:40:39,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn 2026-02-10T11:40:40,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo 2026-02-10T11:40:40,002 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 2026-02-10T11:40:40,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio 2026-02-10T11:40:40,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio 2026-02-10T11:40:40,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh 2026-02-10T11:40:40,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh 2026-02-10T11:40:40,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:40:40,012 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 2026-02-10T11:40:40,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch 2026-02-10T11:40:40,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch 2026-02-10T11:40:40,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl 2026-02-10T11:40:40,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl 2026-02-10T11:40:40,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn 2026-02-10T11:40:40,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn 2026-02-10T11:40:40,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2 2026-02-10T11:40:40,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2 2026-02-10T11:40:40,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07 2026-02-10T11:40:40,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07 2026-02-10T11:40:40,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36 2026-02-10T11:40:40,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36 2026-02-10T11:40:40,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02 2026-02-10T11:40:40,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02 2026-02-10T11:40:40,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12 2026-02-10T11:40:40,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12 2026-02-10T11:40:40,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27 2026-02-10T11:40:40,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27 2026-02-10T11:40:40,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18 2026-02-10T11:40:40,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18 2026-02-10T11:40:40,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34 2026-02-10T11:40:40,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34 2026-02-10T11:40:40,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13 2026-02-10T11:40:40,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13 2026-02-10T11:40:40,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38 2026-02-10T11:40:40,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38 2026-02-10T11:40:40,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2 2026-02-10T11:40:40,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2 2026-02-10T11:40:40,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH 2026-02-10T11:40:40,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH 2026-02-10T11:40:40,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2 2026-02-10T11:40:40,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2 2026-02-10T11:40:40,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05 2026-02-10T11:40:40,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05 2026-02-10T11:40:40,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20 2026-02-10T11:40:40,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20 2026-02-10T11:40:40,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01 2026-02-10T11:40:40,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01 2026-02-10T11:40:40,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08 2026-02-10T11:40:40,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08 2026-02-10T11:40:40,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41 2026-02-10T11:40:40,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41 2026-02-10T11:40:40,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4 2026-02-10T11:40:40,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4 2026-02-10T11:40:40,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2 2026-02-10T11:40:40,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2 2026-02-10T11:40:40,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04 2026-02-10T11:40:40,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04 2026-02-10T11:40:40,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16 2026-02-10T11:40:40,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16 2026-02-10T11:40:40,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4 2026-02-10T11:40:40,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4 2026-02-10T11:40:40,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2 2026-02-10T11:40:40,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2 2026-02-10T11:40:40,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25 2026-02-10T11:40:40,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25 2026-02-10T11:40:40,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30 2026-02-10T11:40:40,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30 2026-02-10T11:40:40,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH 2026-02-10T11:40:40,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH 2026-02-10T11:40:40,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43 2026-02-10T11:40:40,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43 2026-02-10T11:40:40,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2 2026-02-10T11:40:40,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2 2026-02-10T11:40:40,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09 2026-02-10T11:40:40,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09 2026-02-10T11:40:40,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37 2026-02-10T11:40:40,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37 2026-02-10T11:40:40,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3 2026-02-10T11:40:40,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3 2026-02-10T11:40:40,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22 2026-02-10T11:40:40,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22 2026-02-10T11:40:40,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23 2026-02-10T11:40:40,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23 2026-02-10T11:40:40,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2 2026-02-10T11:40:40,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2 2026-02-10T11:40:40,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10 2026-02-10T11:40:40,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10 2026-02-10T11:40:40,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06 2026-02-10T11:40:40,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06 2026-02-10T11:40:40,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2 2026-02-10T11:40:40,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2 2026-02-10T11:40:40,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28 2026-02-10T11:40:40,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28 2026-02-10T11:40:40,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26 2026-02-10T11:40:40,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26 2026-02-10T11:40:40,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40 2026-02-10T11:40:40,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40 2026-02-10T11:40:40,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11 2026-02-10T11:40:40,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11 2026-02-10T11:40:40,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32 2026-02-10T11:40:40,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32 2026-02-10T11:40:40,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2 2026-02-10T11:40:40,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2 2026-02-10T11:40:40,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24 2026-02-10T11:40:40,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24 2026-02-10T11:40:40,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15 2026-02-10T11:40:40,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15 2026-02-10T11:40:40,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03 2026-02-10T11:40:40,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03 2026-02-10T11:40:40,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17 2026-02-10T11:40:40,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17 2026-02-10T11:40:40,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21 2026-02-10T11:40:40,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21 2026-02-10T11:40:40,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3 2026-02-10T11:40:40,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3 2026-02-10T11:40:40,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42 2026-02-10T11:40:40,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42 2026-02-10T11:40:40,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39 2026-02-10T11:40:40,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39 2026-02-10T11:40:40,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35 2026-02-10T11:40:40,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35 2026-02-10T11:40:40,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14 2026-02-10T11:40:40,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14 2026-02-10T11:40:40,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19 2026-02-10T11:40:40,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19 2026-02-10T11:40:40,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33 2026-02-10T11:40:40,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33 2026-02-10T11:40:40,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2 2026-02-10T11:40:40,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2 2026-02-10T11:40:40,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29 2026-02-10T11:40:40,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29 2026-02-10T11:40:40,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31 2026-02-10T11:40:40,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31 2026-02-10T11:40:40,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z 2026-02-10T11:40:40,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z 2026-02-10T11:40:40,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b 2026-02-10T11:40:40,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b 2026-02-10T11:40:40,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e 2026-02-10T11:40:40,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e 2026-02-10T11:40:40,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d 2026-02-10T11:40:40,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d 2026-02-10T11:40:40,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m 2026-02-10T11:40:40,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m 2026-02-10T11:40:40,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b 2026-02-10T11:40:40,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b 2026-02-10T11:40:40,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f 2026-02-10T11:40:40,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f 2026-02-10T11:40:40,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a 2026-02-10T11:40:40,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a 2026-02-10T11:40:40,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b 2026-02-10T11:40:40,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b 2026-02-10T11:40:40,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b 2026-02-10T11:40:40,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b 2026-02-10T11:40:40,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h 2026-02-10T11:40:40,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h 2026-02-10T11:40:40,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g 2026-02-10T11:40:40,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g 2026-02-10T11:40:40,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p 2026-02-10T11:40:40,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p 2026-02-10T11:40:40,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p 2026-02-10T11:40:40,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p 2026-02-10T11:40:40,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a 2026-02-10T11:40:40,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a 2026-02-10T11:40:40,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p 2026-02-10T11:40:40,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p 2026-02-10T11:40:40,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d 2026-02-10T11:40:40,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d 2026-02-10T11:40:40,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a 2026-02-10T11:40:40,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a 2026-02-10T11:40:40,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a 2026-02-10T11:40:40,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a 2026-02-10T11:40:40,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c 2026-02-10T11:40:40,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c 2026-02-10T11:40:40,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p 2026-02-10T11:40:40,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p 2026-02-10T11:40:40,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa 2026-02-10T11:40:40,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa 2026-02-10T11:40:40,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a 2026-02-10T11:40:40,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a 2026-02-10T11:40:40,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a 2026-02-10T11:40:40,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a 2026-02-10T11:40:40,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:40:40,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:40:40,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:40:40,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:40:40,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:40:40,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:40:40,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:40:40,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:40:40,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:40:40,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:40:40,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:40:40,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:40:40,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:40:40,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:40:40,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:40:40,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:40:40,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:40:40,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:40:40,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:40:40,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:40:40,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:40:40,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:40:40,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2 2026-02-10T11:40:40,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2 2026-02-10T11:40:40,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:40:40,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:40:40,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:40:40,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:40:40,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:40:40,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:40:40,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:40:40,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:40:40,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:40:40,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:40:40,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:40:40,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:40:40,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:40:40,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:40:40,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:40:40,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:40:40,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:40:40,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:40:40,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:40:40,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:40:40,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:40:40,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:40:40,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:40:40,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:40:40,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2 2026-02-10T11:40:40,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2 2026-02-10T11:40:40,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:40:40,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:40:40,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:40:40,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:40:40,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:40:40,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:40:40,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:40:40,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:40:40,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:40:40,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:40:40,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:40:40,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:40:40,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:40:40,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:40:40,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:40:40,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:40:40,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:40:40,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:40:40,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:40:40,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:40:40,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:40:40,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:40:40,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:40:40,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:40:40,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:40:40,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:40:40,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:40:40,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:40:40,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:40:40,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:40:40,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b 2026-02-10T11:40:40,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b 2026-02-10T11:40:40,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b 2026-02-10T11:40:40,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b 2026-02-10T11:40:40,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c 2026-02-10T11:40:40,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c 2026-02-10T11:40:40,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a 2026-02-10T11:40:40,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a 2026-02-10T11:40:40,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b 2026-02-10T11:40:40,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b 2026-02-10T11:40:40,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c 2026-02-10T11:40:40,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c 2026-02-10T11:40:40,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b 2026-02-10T11:40:40,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b 2026-02-10T11:40:40,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c 2026-02-10T11:40:40,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c 2026-02-10T11:40:40,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a 2026-02-10T11:40:40,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a 2026-02-10T11:40:40,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d 2026-02-10T11:40:40,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d 2026-02-10T11:40:40,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a 2026-02-10T11:40:40,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a 2026-02-10T11:40:40,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b 2026-02-10T11:40:40,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b 2026-02-10T11:40:40,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b 2026-02-10T11:40:40,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b 2026-02-10T11:40:40,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d 2026-02-10T11:40:40,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d 2026-02-10T11:40:40,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a 2026-02-10T11:40:40,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a 2026-02-10T11:40:40,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a 2026-02-10T11:40:40,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a 2026-02-10T11:40:40,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b 2026-02-10T11:40:40,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b 2026-02-10T11:40:40,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a 2026-02-10T11:40:40,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a 2026-02-10T11:40:40,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b 2026-02-10T11:40:40,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b 2026-02-10T11:40:40,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a 2026-02-10T11:40:40,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a 2026-02-10T11:40:40,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a 2026-02-10T11:40:40,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a 2026-02-10T11:40:40,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b 2026-02-10T11:40:40,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b 2026-02-10T11:40:40,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b 2026-02-10T11:40:40,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b 2026-02-10T11:40:40,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a 2026-02-10T11:40:40,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a 2026-02-10T11:40:40,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a 2026-02-10T11:40:40,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a 2026-02-10T11:40:40,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:40:40,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:40:40,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:40:40,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:40:40,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:40:40,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:40:40,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:40:40,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:40:40,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:40:40,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:40:40,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:40:40,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:40:40,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:40:40,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:40:40,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:40:40,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:40:40,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:40:40,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:40:40,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:40:40,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:40:40,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:40:40,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:40:40,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:40:40,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:40:40,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:40:40,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:40:40,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:40:40,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:40:40,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:40:40,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:40:40,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:40:40,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:40:40,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:40:40,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:40:40,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:40:40,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:40:40,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:40:40,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:40:40,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:40:40,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:40:40,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:40:40,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:40:40,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:40:40,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:40:40,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:40:40,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:40:40,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:40:40,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:40:40,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:40:40,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:40:40,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:40:40,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:40:40,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:40:40,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:40:40,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:40:40,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:40:40,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:40:40,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:40:40,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:40:40,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:40:40,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:40:40,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:40:40,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:40:40,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:40:40,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:40:40,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:40:40,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:40:40,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:40:40,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:40:40,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:40:40,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:40:40,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:40:40,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:40:40,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:40:40,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:40:40,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:40:40,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:40:40,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:40:40,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:40:40,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:40:40,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:40:40,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:40:40,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:40:40,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:40:40,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:40:40,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:40:40,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:40:40,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:40:40,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:40:40,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:40:40,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:40:40,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:40:40,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:40:40,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:40:40,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:40:40,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:40:40,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:40:40,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:40:40,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:40:40,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:40:40,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:40:40,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:40:40,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:40:40,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:40:40,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:40:40,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:40:40,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:40:40,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:40:40,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:40:40,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:40:40,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:40:40,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:40:40,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:40:40,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:40:40,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:40:40,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:40:40,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:40:40,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:40:40,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:40:40,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:40:40,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:40:40,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:40:40,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:40:40,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:40:40,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:40:40,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:40:40,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:40:40,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:40:40,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:40:40,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:40:40,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:40:40,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:40:40,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3 2026-02-10T11:40:40,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3 2026-02-10T11:40:40,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3 2026-02-10T11:40:40,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3 2026-02-10T11:40:40,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:40:40,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:40:40,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:40:40,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:40:40,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3 2026-02-10T11:40:40,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3 2026-02-10T11:40:40,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:40:40,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:40:40,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3 2026-02-10T11:40:40,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3 2026-02-10T11:40:40,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:40:40,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:40:40,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:40:40,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:40:40,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut 2026-02-10T11:40:40,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut 2026-02-10T11:40:40,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F 2026-02-10T11:40:40,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F 2026-02-10T11:40:40,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H 2026-02-10T11:40:40,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H 2026-02-10T11:40:40,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2 2026-02-10T11:40:40,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2 2026-02-10T11:40:40,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3 2026-02-10T11:40:40,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3 2026-02-10T11:40:40,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3 2026-02-10T11:40:40,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3 2026-02-10T11:40:40,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3 2026-02-10T11:40:40,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3 2026-02-10T11:40:40,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz 2026-02-10T11:40:40,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz 2026-02-10T11:40:40,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:40:40,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:40:40,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch 2026-02-10T11:40:40,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch 2026-02-10T11:40:40,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2 2026-02-10T11:40:40,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2 2026-02-10T11:40:40,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1 2026-02-10T11:40:40,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1 2026-02-10T11:40:40,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3 2026-02-10T11:40:40,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3 2026-02-10T11:40:40,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2 2026-02-10T11:40:40,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2 2026-02-10T11:40:40,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2 2026-02-10T11:40:40,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2 2026-02-10T11:40:40,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e 2026-02-10T11:40:40,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e 2026-02-10T11:40:40,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e 2026-02-10T11:40:40,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e 2026-02-10T11:40:40,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3 2026-02-10T11:40:40,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3 2026-02-10T11:40:40,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3 2026-02-10T11:40:40,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3 2026-02-10T11:40:40,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e 2026-02-10T11:40:40,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e 2026-02-10T11:40:40,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1 2026-02-10T11:40:40,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1 2026-02-10T11:40:40,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1 2026-02-10T11:40:40,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1 2026-02-10T11:40:40,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2 2026-02-10T11:40:40,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2 2026-02-10T11:40:40,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3 2026-02-10T11:40:40,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3 2026-02-10T11:40:40,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e 2026-02-10T11:40:40,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e 2026-02-10T11:40:40,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5 2026-02-10T11:40:40,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5 2026-02-10T11:40:40,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int 2026-02-10T11:40:40,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int 2026-02-10T11:40:40,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1 2026-02-10T11:40:40,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1 2026-02-10T11:40:40,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p 2026-02-10T11:40:40,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p 2026-02-10T11:40:40,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr 2026-02-10T11:40:40,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr 2026-02-10T11:40:40,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1 2026-02-10T11:40:40,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1 2026-02-10T11:40:40,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2 2026-02-10T11:40:40,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2 2026-02-10T11:40:40,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p 2026-02-10T11:40:40,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p 2026-02-10T11:40:40,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me 2026-02-10T11:40:40,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me 2026-02-10T11:40:40,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene 2026-02-10T11:40:40,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene 2026-02-10T11:40:40,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2 2026-02-10T11:40:40,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2 2026-02-10T11:40:40,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6 2026-02-10T11:40:40,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6 2026-02-10T11:40:40,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e 2026-02-10T11:40:40,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e 2026-02-10T11:40:40,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e 2026-02-10T11:40:40,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e 2026-02-10T11:40:40,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4 2026-02-10T11:40:40,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4 2026-02-10T11:40:40,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3 2026-02-10T11:40:40,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3 2026-02-10T11:40:40,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1 2026-02-10T11:40:40,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1 2026-02-10T11:40:40,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1 2026-02-10T11:40:40,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1 2026-02-10T11:40:40,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3 2026-02-10T11:40:40,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3 2026-02-10T11:40:40,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e 2026-02-10T11:40:40,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e 2026-02-10T11:40:40,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2 2026-02-10T11:40:40,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2 2026-02-10T11:40:40,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1 2026-02-10T11:40:40,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1 2026-02-10T11:40:40,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e 2026-02-10T11:40:40,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e 2026-02-10T11:40:40,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2 2026-02-10T11:40:40,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2 2026-02-10T11:40:40,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1 2026-02-10T11:40:40,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1 2026-02-10T11:40:40,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e 2026-02-10T11:40:41,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e 2026-02-10T11:40:41,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e 2026-02-10T11:40:41,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e 2026-02-10T11:40:41,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25 2026-02-10T11:40:41,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25 2026-02-10T11:40:41,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52 2026-02-10T11:40:41,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52 2026-02-10T11:40:41,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45 2026-02-10T11:40:41,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45 2026-02-10T11:40:41,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45 2026-02-10T11:40:41,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45 2026-02-10T11:40:41,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51 2026-02-10T11:40:41,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51 2026-02-10T11:40:41,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40 2026-02-10T11:40:41,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40 2026-02-10T11:40:41,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44 2026-02-10T11:40:41,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44 2026-02-10T11:40:41,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60 2026-02-10T11:40:41,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60 2026-02-10T11:40:41,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60 2026-02-10T11:40:41,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60 2026-02-10T11:40:41,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56 2026-02-10T11:40:41,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56 2026-02-10T11:40:41,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43 2026-02-10T11:40:41,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43 2026-02-10T11:40:41,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21 2026-02-10T11:40:41,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21 2026-02-10T11:40:41,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44 2026-02-10T11:40:41,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44 2026-02-10T11:40:41,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29 2026-02-10T11:40:41,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29 2026-02-10T11:40:41,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26 2026-02-10T11:40:41,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26 2026-02-10T11:40:41,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22 2026-02-10T11:40:41,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22 2026-02-10T11:40:41,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57 2026-02-10T11:40:41,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57 2026-02-10T11:40:41,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26 2026-02-10T11:40:41,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26 2026-02-10T11:40:41,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20 2026-02-10T11:40:41,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20 2026-02-10T11:40:41,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22 2026-02-10T11:40:41,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22 2026-02-10T11:40:41,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43 2026-02-10T11:40:41,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43 2026-02-10T11:40:41,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52 2026-02-10T11:40:41,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52 2026-02-10T11:40:41,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47 2026-02-10T11:40:41,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47 2026-02-10T11:40:41,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47 2026-02-10T11:40:41,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47 2026-02-10T11:40:41,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28 2026-02-10T11:40:41,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28 2026-02-10T11:40:41,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49 2026-02-10T11:40:41,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49 2026-02-10T11:40:41,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48 2026-02-10T11:40:41,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48 2026-02-10T11:40:41,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49 2026-02-10T11:40:41,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49 2026-02-10T11:40:41,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48 2026-02-10T11:40:41,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48 2026-02-10T11:40:41,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20 2026-02-10T11:40:41,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20 2026-02-10T11:40:41,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46 2026-02-10T11:40:41,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46 2026-02-10T11:40:41,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51 2026-02-10T11:40:41,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51 2026-02-10T11:40:41,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40 2026-02-10T11:40:41,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40 2026-02-10T11:40:41,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46 2026-02-10T11:40:41,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46 2026-02-10T11:40:41,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25 2026-02-10T11:40:41,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25 2026-02-10T11:40:41,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56 2026-02-10T11:40:41,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56 2026-02-10T11:40:41,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:40:41,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:40:41,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1 2026-02-10T11:40:41,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1 2026-02-10T11:40:41,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2 2026-02-10T11:40:41,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2 2026-02-10T11:40:41,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1 2026-02-10T11:40:41,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1 2026-02-10T11:40:41,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic 2026-02-10T11:40:41,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic 2026-02-10T11:40:41,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64 2026-02-10T11:40:41,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64 2026-02-10T11:40:41,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr 2026-02-10T11:40:41,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr 2026-02-10T11:40:41,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr 2026-02-10T11:40:41,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr 2026-02-10T11:40:41,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A 2026-02-10T11:40:41,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A 2026-02-10T11:40:41,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo 2026-02-10T11:40:41,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo 2026-02-10T11:40:41,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A 2026-02-10T11:40:41,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A 2026-02-10T11:40:41,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh 2026-02-10T11:40:41,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh 2026-02-10T11:40:41,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2 2026-02-10T11:40:41,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2 2026-02-10T11:40:41,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc 2026-02-10T11:40:41,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc 2026-02-10T11:40:41,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe 2026-02-10T11:40:41,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe 2026-02-10T11:40:41,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4 2026-02-10T11:40:41,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4 2026-02-10T11:40:41,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74 2026-02-10T11:40:41,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74 2026-02-10T11:40:41,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:40:41,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:40:41,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:40:41,447 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 2026-02-10T11:40:41,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:40:41,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:40:41,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2 2026-02-10T11:40:41,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2 2026-02-10T11:40:41,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he 2026-02-10T11:40:41,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he 2026-02-10T11:40:41,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm 2026-02-10T11:40:41,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm 2026-02-10T11:40:41,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s 2026-02-10T11:40:41,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s 2026-02-10T11:40:41,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf 2026-02-10T11:40:41,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf 2026-02-10T11:40:41,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3 2026-02-10T11:40:41,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3 2026-02-10T11:40:41,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots 2026-02-10T11:40:41,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots 2026-02-10T11:40:41,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+ 2026-02-10T11:40:41,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+ 2026-02-10T11:40:41,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21 2026-02-10T11:40:41,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21 2026-02-10T11:40:41,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3 2026-02-10T11:40:41,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3 2026-02-10T11:40:41,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:40:41,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:40:41,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18 2026-02-10T11:40:41,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18 2026-02-10T11:40:41,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20 2026-02-10T11:40:41,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20 2026-02-10T11:40:41,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34 2026-02-10T11:40:41,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34 2026-02-10T11:40:41,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13 2026-02-10T11:40:41,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13 2026-02-10T11:40:41,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:40:41,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:40:41,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:40:41,515 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 2026-02-10T11:40:41,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:40:41,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:40:41,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b 2026-02-10T11:40:41,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b 2026-02-10T11:40:41,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O 2026-02-10T11:40:41,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O 2026-02-10T11:40:41,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2 2026-02-10T11:40:41,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2 2026-02-10T11:40:41,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76 2026-02-10T11:40:41,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76 2026-02-10T11:40:41,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A 2026-02-10T11:40:41,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A 2026-02-10T11:40:41,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2 2026-02-10T11:40:41,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2 2026-02-10T11:40:41,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+ 2026-02-10T11:40:41,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+ 2026-02-10T11:40:41,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:40:41,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:40:41,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs 2026-02-10T11:40:41,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs 2026-02-10T11:40:41,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B 2026-02-10T11:40:41,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B 2026-02-10T11:40:41,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17 2026-02-10T11:40:41,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17 2026-02-10T11:40:41,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48 2026-02-10T11:40:41,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48 2026-02-10T11:40:41,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1 2026-02-10T11:40:41,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1 2026-02-10T11:40:41,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p 2026-02-10T11:40:41,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p 2026-02-10T11:40:41,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45 2026-02-10T11:40:41,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45 2026-02-10T11:40:41,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH 2026-02-10T11:40:41,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH 2026-02-10T11:40:41,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20 2026-02-10T11:40:41,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20 2026-02-10T11:40:41,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o 2026-02-10T11:40:41,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o 2026-02-10T11:40:41,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh 2026-02-10T11:40:41,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh 2026-02-10T11:40:41,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be 2026-02-10T11:40:41,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be 2026-02-10T11:40:41,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20 2026-02-10T11:40:41,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20 2026-02-10T11:40:41,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3 2026-02-10T11:40:41,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3 2026-02-10T11:40:41,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1 2026-02-10T11:40:41,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1 2026-02-10T11:40:41,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S 2026-02-10T11:40:41,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S 2026-02-10T11:40:41,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80 2026-02-10T11:40:41,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80 2026-02-10T11:40:41,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf 2026-02-10T11:40:41,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf 2026-02-10T11:40:41,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14 2026-02-10T11:40:41,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14 2026-02-10T11:40:41,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59 2026-02-10T11:40:41,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59 2026-02-10T11:40:41,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3 2026-02-10T11:40:41,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3 2026-02-10T11:40:41,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02 2026-02-10T11:40:41,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02 2026-02-10T11:40:41,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:40:41,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:40:41,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A 2026-02-10T11:40:41,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A 2026-02-10T11:40:41,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl 2026-02-10T11:40:41,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl 2026-02-10T11:40:41,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73 2026-02-10T11:40:41,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73 2026-02-10T11:40:41,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo 2026-02-10T11:40:41,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo 2026-02-10T11:40:41,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco 2026-02-10T11:40:41,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco 2026-02-10T11:40:41,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao 2026-02-10T11:40:41,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao 2026-02-10T11:40:41,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B 2026-02-10T11:40:41,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B 2026-02-10T11:40:41,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si 2026-02-10T11:40:41,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si 2026-02-10T11:40:41,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A 2026-02-10T11:40:41,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A 2026-02-10T11:40:41,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p 2026-02-10T11:40:41,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p 2026-02-10T11:40:41,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:40:41,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:40:41,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:40:41,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:40:41,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h 2026-02-10T11:40:41,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h 2026-02-10T11:40:41,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:40:41,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:40:41,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca 2026-02-10T11:40:41,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca 2026-02-10T11:40:41,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2 2026-02-10T11:40:41,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2 2026-02-10T11:40:41,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4 2026-02-10T11:40:41,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4 2026-02-10T11:40:41,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:40:41,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:40:41,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2 2026-02-10T11:40:41,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2 2026-02-10T11:40:41,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne 2026-02-10T11:40:41,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne 2026-02-10T11:40:41,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A 2026-02-10T11:40:41,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A 2026-02-10T11:40:41,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B 2026-02-10T11:40:41,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B 2026-02-10T11:40:41,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25 2026-02-10T11:40:41,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25 2026-02-10T11:40:41,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20 2026-02-10T11:40:41,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20 2026-02-10T11:40:41,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s 2026-02-10T11:40:41,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s 2026-02-10T11:40:41,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B 2026-02-10T11:40:41,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B 2026-02-10T11:40:41,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4 2026-02-10T11:40:41,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4 2026-02-10T11:40:41,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10 2026-02-10T11:40:41,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10 2026-02-10T11:40:41,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:40:41,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:40:41,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k 2026-02-10T11:40:41,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k 2026-02-10T11:40:41,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg 2026-02-10T11:40:41,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg 2026-02-10T11:40:41,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67 2026-02-10T11:40:41,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67 2026-02-10T11:40:41,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:40:41,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:40:41,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78 2026-02-10T11:40:41,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78 2026-02-10T11:40:41,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43 2026-02-10T11:40:41,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43 2026-02-10T11:40:41,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts 2026-02-10T11:40:41,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts 2026-02-10T11:40:41,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A 2026-02-10T11:40:41,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A 2026-02-10T11:40:41,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3 2026-02-10T11:40:41,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3 2026-02-10T11:40:41,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25 2026-02-10T11:40:41,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25 2026-02-10T11:40:41,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:40:41,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:40:41,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf 2026-02-10T11:40:41,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf 2026-02-10T11:40:41,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2 2026-02-10T11:40:41,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2 2026-02-10T11:40:41,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH 2026-02-10T11:40:41,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH 2026-02-10T11:40:41,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a 2026-02-10T11:40:41,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a 2026-02-10T11:40:41,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:40:41,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:40:41,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B 2026-02-10T11:40:41,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B 2026-02-10T11:40:41,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47 2026-02-10T11:40:41,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47 2026-02-10T11:40:41,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4 2026-02-10T11:40:41,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4 2026-02-10T11:40:41,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+ 2026-02-10T11:40:41,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+ 2026-02-10T11:40:41,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6 2026-02-10T11:40:41,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6 2026-02-10T11:40:41,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B 2026-02-10T11:40:41,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B 2026-02-10T11:40:41,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f 2026-02-10T11:40:41,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f 2026-02-10T11:40:41,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:40:41,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:40:41,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A 2026-02-10T11:40:41,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A 2026-02-10T11:40:41,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s 2026-02-10T11:40:41,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s 2026-02-10T11:40:41,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar 2026-02-10T11:40:41,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar 2026-02-10T11:40:41,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2 2026-02-10T11:40:41,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2 2026-02-10T11:40:41,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:40:41,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:40:41,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s 2026-02-10T11:40:41,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s 2026-02-10T11:40:41,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl 2026-02-10T11:40:41,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl 2026-02-10T11:40:41,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40 2026-02-10T11:40:41,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40 2026-02-10T11:40:41,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:40:41,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:40:41,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b 2026-02-10T11:40:41,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b 2026-02-10T11:40:41,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:40:41,963 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 2026-02-10T11:40:41,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12 2026-02-10T11:40:41,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12 2026-02-10T11:40:41,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh 2026-02-10T11:40:41,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh 2026-02-10T11:40:41,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B 2026-02-10T11:40:41,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B 2026-02-10T11:40:41,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71 2026-02-10T11:40:41,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71 2026-02-10T11:40:41,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5 2026-02-10T11:40:41,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5 2026-02-10T11:40:41,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24 2026-02-10T11:40:41,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24 2026-02-10T11:40:41,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2 2026-02-10T11:40:41,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2 2026-02-10T11:40:41,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts 2026-02-10T11:40:41,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts 2026-02-10T11:40:41,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2 2026-02-10T11:40:41,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2 2026-02-10T11:40:41,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:40:41,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:40:41,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr 2026-02-10T11:40:41,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr 2026-02-10T11:40:42,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c 2026-02-10T11:40:42,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c 2026-02-10T11:40:42,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2 2026-02-10T11:40:42,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2 2026-02-10T11:40:42,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f 2026-02-10T11:40:42,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f 2026-02-10T11:40:42,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn 2026-02-10T11:40:42,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn 2026-02-10T11:40:42,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:40:42,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:40:42,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+ 2026-02-10T11:40:42,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+ 2026-02-10T11:40:42,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3 2026-02-10T11:40:42,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3 2026-02-10T11:40:42,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2 2026-02-10T11:40:42,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2 2026-02-10T11:40:42,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+ 2026-02-10T11:40:42,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+ 2026-02-10T11:40:42,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39 2026-02-10T11:40:42,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39 2026-02-10T11:40:42,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4 2026-02-10T11:40:42,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4 2026-02-10T11:40:42,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al 2026-02-10T11:40:42,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al 2026-02-10T11:40:42,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:40:42,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:40:42,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn 2026-02-10T11:40:42,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn 2026-02-10T11:40:42,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68 2026-02-10T11:40:42,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68 2026-02-10T11:40:42,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl 2026-02-10T11:40:42,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl 2026-02-10T11:40:42,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58 2026-02-10T11:40:42,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58 2026-02-10T11:40:42,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:40:42,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:40:42,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:40:42,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:40:42,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:40:42,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:40:42,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8 2026-02-10T11:40:42,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8 2026-02-10T11:40:42,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:40:42,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:40:42,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp 2026-02-10T11:40:42,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp 2026-02-10T11:40:42,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2 2026-02-10T11:40:42,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2 2026-02-10T11:40:42,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2 2026-02-10T11:40:42,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2 2026-02-10T11:40:42,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:40:42,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:40:42,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:40:42,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:40:42,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:40:42,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:40:42,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s 2026-02-10T11:40:42,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s 2026-02-10T11:40:42,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3 2026-02-10T11:40:42,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3 2026-02-10T11:40:42,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:40:42,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:40:42,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s 2026-02-10T11:40:42,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s 2026-02-10T11:40:42,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:40:42,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:40:42,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3 2026-02-10T11:40:42,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3 2026-02-10T11:40:42,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3 2026-02-10T11:40:42,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3 2026-02-10T11:40:42,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:40:42,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:40:42,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:40:42,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:40:42,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:40:42,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:40:42,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3 2026-02-10T11:40:42,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3 2026-02-10T11:40:42,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:40:42,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:40:42,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:40:42,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:40:42,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:40:42,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:40:42,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:40:42,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:40:42,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:40:42,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:40:42,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3 2026-02-10T11:40:42,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3 2026-02-10T11:40:42,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3 2026-02-10T11:40:42,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3 2026-02-10T11:40:42,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:40:42,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:40:42,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:40:42,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:40:42,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s 2026-02-10T11:40:42,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s 2026-02-10T11:40:42,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:40:42,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:40:42,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2 2026-02-10T11:40:42,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2 2026-02-10T11:40:42,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:40:42,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:40:42,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:40:42,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:40:42,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:40:42,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:40:42,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22 2026-02-10T11:40:42,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22 2026-02-10T11:40:42,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX 2026-02-10T11:40:42,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX 2026-02-10T11:40:42,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:40:42,219 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- 2026-02-10T11:40:42,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:40:42,230 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+ 2026-02-10T11:40:42,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:40:42,245 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- 2026-02-10T11:40:42,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg 2026-02-10T11:40:42,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg 2026-02-10T11:40:42,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T 2026-02-10T11:40:42,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T 2026-02-10T11:40:42,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt 2026-02-10T11:40:42,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt 2026-02-10T11:40:42,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG 2026-02-10T11:40:42,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG 2026-02-10T11:40:42,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:40:42,307 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+ 2026-02-10T11:40:42,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt 2026-02-10T11:40:42,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt 2026-02-10T11:40:42,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:40:42,320 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- 2026-02-10T11:40:42,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg 2026-02-10T11:40:42,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg 2026-02-10T11:40:42,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt 2026-02-10T11:40:42,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt 2026-02-10T11:40:42,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G 2026-02-10T11:40:42,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G 2026-02-10T11:40:42,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG 2026-02-10T11:40:42,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG 2026-02-10T11:40:42,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg 2026-02-10T11:40:42,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg 2026-02-10T11:40:42,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT 2026-02-10T11:40:42,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT 2026-02-10T11:40:42,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:40:42,367 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- 2026-02-10T11:40:42,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1 2026-02-10T11:40:42,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1 2026-02-10T11:40:42,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10 2026-02-10T11:40:42,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10 2026-02-10T11:40:42,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5 2026-02-10T11:40:42,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5 2026-02-10T11:40:42,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7 2026-02-10T11:40:42,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7 2026-02-10T11:40:42,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6 2026-02-10T11:40:42,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6 2026-02-10T11:40:42,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15 2026-02-10T11:40:42,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15 2026-02-10T11:40:42,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6 2026-02-10T11:40:42,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6 2026-02-10T11:40:42,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16 2026-02-10T11:40:42,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16 2026-02-10T11:40:42,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5 2026-02-10T11:40:42,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5 2026-02-10T11:40:42,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4 2026-02-10T11:40:42,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4 2026-02-10T11:40:42,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2 2026-02-10T11:40:42,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2 2026-02-10T11:40:42,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4 2026-02-10T11:40:42,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4 2026-02-10T11:40:42,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7 2026-02-10T11:40:42,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7 2026-02-10T11:40:42,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4 2026-02-10T11:40:42,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4 2026-02-10T11:40:42,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8 2026-02-10T11:40:42,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8 2026-02-10T11:40:42,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10 2026-02-10T11:40:42,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10 2026-02-10T11:40:42,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11 2026-02-10T11:40:42,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11 2026-02-10T11:40:42,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14 2026-02-10T11:40:42,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14 2026-02-10T11:40:42,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9 2026-02-10T11:40:42,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9 2026-02-10T11:40:42,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6 2026-02-10T11:40:42,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6 2026-02-10T11:40:42,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3 2026-02-10T11:40:42,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3 2026-02-10T11:40:42,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14 2026-02-10T11:40:42,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14 2026-02-10T11:40:42,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15 2026-02-10T11:40:42,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15 2026-02-10T11:40:42,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12 2026-02-10T11:40:42,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12 2026-02-10T11:40:42,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13 2026-02-10T11:40:42,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13 2026-02-10T11:40:42,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1 2026-02-10T11:40:42,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1 2026-02-10T11:40:42,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3 2026-02-10T11:40:42,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3 2026-02-10T11:40:42,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4 2026-02-10T11:40:42,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4 2026-02-10T11:40:42,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11 2026-02-10T11:40:42,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11 2026-02-10T11:40:42,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3 2026-02-10T11:40:42,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3 2026-02-10T11:40:42,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1 2026-02-10T11:40:42,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1 2026-02-10T11:40:42,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12 2026-02-10T11:40:42,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12 2026-02-10T11:40:42,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5 2026-02-10T11:40:42,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5 2026-02-10T11:40:42,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2 2026-02-10T11:40:42,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2 2026-02-10T11:40:42,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8 2026-02-10T11:40:42,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8 2026-02-10T11:40:42,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9 2026-02-10T11:40:42,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9 2026-02-10T11:40:42,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13 2026-02-10T11:40:42,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13 2026-02-10T11:40:42,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2 2026-02-10T11:40:42,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2 2026-02-10T11:40:42,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2 2026-02-10T11:40:42,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2 2026-02-10T11:40:42,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9 2026-02-10T11:40:42,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9 2026-02-10T11:40:42,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6 2026-02-10T11:40:42,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6 2026-02-10T11:40:42,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1 2026-02-10T11:40:42,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1 2026-02-10T11:40:42,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2 2026-02-10T11:40:42,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2 2026-02-10T11:40:42,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1 2026-02-10T11:40:42,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1 2026-02-10T11:40:42,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7 2026-02-10T11:40:42,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7 2026-02-10T11:40:42,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10 2026-02-10T11:40:42,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10 2026-02-10T11:40:42,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5 2026-02-10T11:40:42,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5 2026-02-10T11:40:42,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4 2026-02-10T11:40:42,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4 2026-02-10T11:40:42,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10 2026-02-10T11:40:42,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10 2026-02-10T11:40:42,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9 2026-02-10T11:40:42,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9 2026-02-10T11:40:42,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3 2026-02-10T11:40:42,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3 2026-02-10T11:40:42,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5 2026-02-10T11:40:42,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5 2026-02-10T11:40:42,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4 2026-02-10T11:40:42,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4 2026-02-10T11:40:42,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7 2026-02-10T11:40:42,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7 2026-02-10T11:40:42,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8 2026-02-10T11:40:42,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8 2026-02-10T11:40:42,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8 2026-02-10T11:40:42,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8 2026-02-10T11:40:42,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6 2026-02-10T11:40:42,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6 2026-02-10T11:40:42,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3 2026-02-10T11:40:42,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3 2026-02-10T11:40:42,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:40:42,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:40:42,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20 2026-02-10T11:40:42,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20 2026-02-10T11:40:42,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8 2026-02-10T11:40:42,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8 2026-02-10T11:40:42,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh 2026-02-10T11:40:42,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh 2026-02-10T11:40:42,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc 2026-02-10T11:40:42,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc 2026-02-10T11:40:42,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh- 2026-02-10T11:40:42,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh- 2026-02-10T11:40:42,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19 2026-02-10T11:40:42,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19 2026-02-10T11:40:42,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:40:42,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:40:42,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:40:42,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:40:42,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf 2026-02-10T11:40:42,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf 2026-02-10T11:40:42,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co 2026-02-10T11:40:42,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co 2026-02-10T11:40:42,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots 2026-02-10T11:40:42,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots 2026-02-10T11:40:42,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:40:42,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:40:42,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07 2026-02-10T11:40:42,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07 2026-02-10T11:40:42,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:40:42,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:40:42,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2 2026-02-10T11:40:42,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2 2026-02-10T11:40:42,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:40:42,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:40:42,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4 2026-02-10T11:40:42,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4 2026-02-10T11:40:42,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f- 2026-02-10T11:40:42,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f- 2026-02-10T11:40:42,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O 2026-02-10T11:40:42,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O 2026-02-10T11:40:42,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2 2026-02-10T11:40:42,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2 2026-02-10T11:40:42,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2 2026-02-10T11:40:42,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2 2026-02-10T11:40:42,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3 2026-02-10T11:40:42,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3 2026-02-10T11:40:42,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17 2026-02-10T11:40:42,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17 2026-02-10T11:40:42,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22 2026-02-10T11:40:42,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22 2026-02-10T11:40:42,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14 2026-02-10T11:40:42,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14 2026-02-10T11:40:42,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13 2026-02-10T11:40:42,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13 2026-02-10T11:40:42,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H 2026-02-10T11:40:42,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H 2026-02-10T11:40:42,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:40:42,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:40:42,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS 2026-02-10T11:40:42,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS 2026-02-10T11:40:42,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl- 2026-02-10T11:40:42,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl- 2026-02-10T11:40:42,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:40:42,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:40:42,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S 2026-02-10T11:40:42,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S 2026-02-10T11:40:42,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf 2026-02-10T11:40:42,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf 2026-02-10T11:40:42,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04 2026-02-10T11:40:42,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04 2026-02-10T11:40:42,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3 2026-02-10T11:40:42,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3 2026-02-10T11:40:42,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02 2026-02-10T11:40:42,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02 2026-02-10T11:40:42,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco 2026-02-10T11:40:42,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco 2026-02-10T11:40:42,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16 2026-02-10T11:40:42,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16 2026-02-10T11:40:42,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h 2026-02-10T11:40:42,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h 2026-02-10T11:40:42,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18 2026-02-10T11:40:42,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18 2026-02-10T11:40:42,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:40:42,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:40:42,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6 2026-02-10T11:40:42,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6 2026-02-10T11:40:42,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:40:42,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:40:42,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4 2026-02-10T11:40:42,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4 2026-02-10T11:40:42,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2 2026-02-10T11:40:42,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2 2026-02-10T11:40:42,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11 2026-02-10T11:40:42,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11 2026-02-10T11:40:42,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:40:42,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:40:42,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:40:42,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:40:42,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01 2026-02-10T11:40:42,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01 2026-02-10T11:40:42,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10 2026-02-10T11:40:42,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10 2026-02-10T11:40:42,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:40:42,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:40:42,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:40:42,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:40:42,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts 2026-02-10T11:40:42,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts 2026-02-10T11:40:42,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2 2026-02-10T11:40:42,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2 2026-02-10T11:40:42,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5 2026-02-10T11:40:42,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5 2026-02-10T11:40:42,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12 2026-02-10T11:40:42,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12 2026-02-10T11:40:42,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06 2026-02-10T11:40:42,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06 2026-02-10T11:40:42,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:40:42,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:40:42,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15 2026-02-10T11:40:42,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15 2026-02-10T11:40:42,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7 2026-02-10T11:40:42,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7 2026-02-10T11:40:42,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O 2026-02-10T11:40:42,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O 2026-02-10T11:40:42,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08 2026-02-10T11:40:42,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08 2026-02-10T11:40:42,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:40:42,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:40:42,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05 2026-02-10T11:40:42,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05 2026-02-10T11:40:42,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:40:42,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:40:42,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f 2026-02-10T11:40:42,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f 2026-02-10T11:40:42,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl 2026-02-10T11:40:42,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl 2026-02-10T11:40:42,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2 2026-02-10T11:40:42,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2 2026-02-10T11:40:42,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts 2026-02-10T11:40:42,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts 2026-02-10T11:40:42,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:40:42,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:40:43,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03 2026-02-10T11:40:43,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03 2026-02-10T11:40:43,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:40:43,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:40:43,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:40:43,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:40:43,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts 2026-02-10T11:40:43,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts 2026-02-10T11:40:43,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2 2026-02-10T11:40:43,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2 2026-02-10T11:40:43,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o 2026-02-10T11:40:43,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o 2026-02-10T11:40:43,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:40:43,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:40:43,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f 2026-02-10T11:40:43,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f 2026-02-10T11:40:43,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3 2026-02-10T11:40:43,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3 2026-02-10T11:40:43,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21 2026-02-10T11:40:43,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21 2026-02-10T11:40:43,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn 2026-02-10T11:40:43,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn 2026-02-10T11:40:43,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl 2026-02-10T11:40:43,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl 2026-02-10T11:40:43,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5 2026-02-10T11:40:43,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5 2026-02-10T11:40:43,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH 2026-02-10T11:40:43,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH 2026-02-10T11:40:43,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09 2026-02-10T11:40:43,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09 2026-02-10T11:40:43,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3 2026-02-10T11:40:43,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3 2026-02-10T11:40:43,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42 2026-02-10T11:40:43,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42 2026-02-10T11:40:43,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71 2026-02-10T11:40:43,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71 2026-02-10T11:40:43,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:40:43,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:40:43,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0 2026-02-10T11:40:43,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0 2026-02-10T11:40:43,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42 2026-02-10T11:40:43,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42 2026-02-10T11:40:43,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42 2026-02-10T11:40:43,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42 2026-02-10T11:40:43,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3 2026-02-10T11:40:43,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3 2026-02-10T11:40:43,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:40:43,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:40:43,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1 2026-02-10T11:40:43,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1 2026-02-10T11:40:43,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0 2026-02-10T11:40:43,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0 2026-02-10T11:40:43,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0 2026-02-10T11:40:43,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0 2026-02-10T11:40:43,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2 2026-02-10T11:40:43,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2 2026-02-10T11:40:43,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4 2026-02-10T11:40:43,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4 2026-02-10T11:40:43,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43 2026-02-10T11:40:43,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43 2026-02-10T11:40:43,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71 2026-02-10T11:40:43,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71 2026-02-10T11:40:43,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:40:43,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:40:43,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2 2026-02-10T11:40:43,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2 2026-02-10T11:40:43,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41 2026-02-10T11:40:43,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41 2026-02-10T11:40:43,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72 2026-02-10T11:40:43,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72 2026-02-10T11:40:43,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1 2026-02-10T11:40:43,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1 2026-02-10T11:40:43,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72 2026-02-10T11:40:43,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72 2026-02-10T11:40:43,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41 2026-02-10T11:40:43,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41 2026-02-10T11:40:43,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2 2026-02-10T11:40:43,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2 2026-02-10T11:40:43,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1 2026-02-10T11:40:43,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1 2026-02-10T11:40:43,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41 2026-02-10T11:40:43,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41 2026-02-10T11:40:43,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3 2026-02-10T11:40:43,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3 2026-02-10T11:40:43,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2 2026-02-10T11:40:43,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2 2026-02-10T11:40:43,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0 2026-02-10T11:40:43,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0 2026-02-10T11:40:43,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0 2026-02-10T11:40:43,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0 2026-02-10T11:40:43,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2 2026-02-10T11:40:43,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2 2026-02-10T11:40:43,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A 2026-02-10T11:40:43,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A 2026-02-10T11:40:43,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B 2026-02-10T11:40:43,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B 2026-02-10T11:40:43,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B 2026-02-10T11:40:43,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B 2026-02-10T11:40:43,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A 2026-02-10T11:40:43,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A 2026-02-10T11:40:43,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07 2026-02-10T11:40:43,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07 2026-02-10T11:40:43,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A 2026-02-10T11:40:43,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A 2026-02-10T11:40:43,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A 2026-02-10T11:40:43,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A 2026-02-10T11:40:43,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B 2026-02-10T11:40:43,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B 2026-02-10T11:40:43,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A 2026-02-10T11:40:43,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A 2026-02-10T11:40:43,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A 2026-02-10T11:40:43,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A 2026-02-10T11:40:43,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B 2026-02-10T11:40:43,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B 2026-02-10T11:40:43,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B 2026-02-10T11:40:43,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B 2026-02-10T11:40:43,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36 2026-02-10T11:40:43,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36 2026-02-10T11:40:43,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B 2026-02-10T11:40:43,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B 2026-02-10T11:40:43,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02 2026-02-10T11:40:43,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02 2026-02-10T11:40:43,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B 2026-02-10T11:40:43,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B 2026-02-10T11:40:43,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A 2026-02-10T11:40:43,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A 2026-02-10T11:40:43,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A 2026-02-10T11:40:43,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A 2026-02-10T11:40:43,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B 2026-02-10T11:40:43,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B 2026-02-10T11:40:43,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64 2026-02-10T11:40:43,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64 2026-02-10T11:40:43,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A 2026-02-10T11:40:43,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A 2026-02-10T11:40:43,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12 2026-02-10T11:40:43,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12 2026-02-10T11:40:43,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A 2026-02-10T11:40:43,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A 2026-02-10T11:40:43,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A 2026-02-10T11:40:43,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A 2026-02-10T11:40:43,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A 2026-02-10T11:40:43,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A 2026-02-10T11:40:43,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B 2026-02-10T11:40:43,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B 2026-02-10T11:40:43,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B 2026-02-10T11:40:43,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B 2026-02-10T11:40:43,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B 2026-02-10T11:40:43,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B 2026-02-10T11:40:43,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A 2026-02-10T11:40:43,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A 2026-02-10T11:40:43,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27 2026-02-10T11:40:43,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27 2026-02-10T11:40:43,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A 2026-02-10T11:40:43,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A 2026-02-10T11:40:43,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18 2026-02-10T11:40:43,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18 2026-02-10T11:40:43,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B 2026-02-10T11:40:43,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B 2026-02-10T11:40:43,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A 2026-02-10T11:40:43,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A 2026-02-10T11:40:43,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A 2026-02-10T11:40:43,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A 2026-02-10T11:40:43,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34 2026-02-10T11:40:43,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34 2026-02-10T11:40:43,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13 2026-02-10T11:40:43,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13 2026-02-10T11:40:43,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A 2026-02-10T11:40:43,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A 2026-02-10T11:40:43,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62 2026-02-10T11:40:43,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62 2026-02-10T11:40:43,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A 2026-02-10T11:40:43,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A 2026-02-10T11:40:43,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B 2026-02-10T11:40:43,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B 2026-02-10T11:40:43,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B 2026-02-10T11:40:43,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B 2026-02-10T11:40:43,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A 2026-02-10T11:40:43,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A 2026-02-10T11:40:43,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B 2026-02-10T11:40:43,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B 2026-02-10T11:40:43,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A 2026-02-10T11:40:43,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A 2026-02-10T11:40:43,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A 2026-02-10T11:40:43,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A 2026-02-10T11:40:43,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B 2026-02-10T11:40:43,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B 2026-02-10T11:40:43,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48 2026-02-10T11:40:43,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48 2026-02-10T11:40:43,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B 2026-02-10T11:40:43,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B 2026-02-10T11:40:43,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45 2026-02-10T11:40:43,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45 2026-02-10T11:40:43,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46 2026-02-10T11:40:43,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46 2026-02-10T11:40:43,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B 2026-02-10T11:40:43,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B 2026-02-10T11:40:43,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A 2026-02-10T11:40:43,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A 2026-02-10T11:40:43,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66 2026-02-10T11:40:43,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66 2026-02-10T11:40:43,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B 2026-02-10T11:40:43,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B 2026-02-10T11:40:43,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38 2026-02-10T11:40:43,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38 2026-02-10T11:40:43,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49 2026-02-10T11:40:43,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49 2026-02-10T11:40:43,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A 2026-02-10T11:40:43,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A 2026-02-10T11:40:43,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A 2026-02-10T11:40:43,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A 2026-02-10T11:40:43,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A 2026-02-10T11:40:43,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A 2026-02-10T11:40:43,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05 2026-02-10T11:40:43,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05 2026-02-10T11:40:43,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20 2026-02-10T11:40:43,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20 2026-02-10T11:40:43,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01 2026-02-10T11:40:43,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01 2026-02-10T11:40:43,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A 2026-02-10T11:40:43,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A 2026-02-10T11:40:43,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55 2026-02-10T11:40:43,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55 2026-02-10T11:40:43,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A 2026-02-10T11:40:43,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A 2026-02-10T11:40:43,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61 2026-02-10T11:40:43,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61 2026-02-10T11:40:43,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B 2026-02-10T11:40:43,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B 2026-02-10T11:40:43,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A 2026-02-10T11:40:43,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A 2026-02-10T11:40:43,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B 2026-02-10T11:40:43,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B 2026-02-10T11:40:43,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59 2026-02-10T11:40:43,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59 2026-02-10T11:40:43,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08 2026-02-10T11:40:43,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08 2026-02-10T11:40:43,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B 2026-02-10T11:40:43,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B 2026-02-10T11:40:43,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B 2026-02-10T11:40:43,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B 2026-02-10T11:40:43,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A 2026-02-10T11:40:43,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A 2026-02-10T11:40:43,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B 2026-02-10T11:40:43,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B 2026-02-10T11:40:43,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A 2026-02-10T11:40:43,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A 2026-02-10T11:40:43,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B 2026-02-10T11:40:43,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B 2026-02-10T11:40:43,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41 2026-02-10T11:40:43,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41 2026-02-10T11:40:43,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63 2026-02-10T11:40:43,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63 2026-02-10T11:40:43,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B 2026-02-10T11:40:43,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B 2026-02-10T11:40:43,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B 2026-02-10T11:40:43,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B 2026-02-10T11:40:43,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B 2026-02-10T11:40:43,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B 2026-02-10T11:40:43,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B 2026-02-10T11:40:43,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B 2026-02-10T11:40:43,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04 2026-02-10T11:40:43,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04 2026-02-10T11:40:43,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A 2026-02-10T11:40:43,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A 2026-02-10T11:40:43,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A 2026-02-10T11:40:43,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A 2026-02-10T11:40:43,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16 2026-02-10T11:40:43,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16 2026-02-10T11:40:43,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A 2026-02-10T11:40:43,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A 2026-02-10T11:40:43,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B 2026-02-10T11:40:43,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B 2026-02-10T11:40:43,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B 2026-02-10T11:40:43,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B 2026-02-10T11:40:43,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A 2026-02-10T11:40:43,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A 2026-02-10T11:40:43,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B 2026-02-10T11:40:43,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B 2026-02-10T11:40:43,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A 2026-02-10T11:40:43,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A 2026-02-10T11:40:43,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B 2026-02-10T11:40:43,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B 2026-02-10T11:40:43,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A 2026-02-10T11:40:43,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A 2026-02-10T11:40:43,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44 2026-02-10T11:40:43,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44 2026-02-10T11:40:43,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A 2026-02-10T11:40:43,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A 2026-02-10T11:40:43,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B 2026-02-10T11:40:43,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B 2026-02-10T11:40:43,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A 2026-02-10T11:40:43,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A 2026-02-10T11:40:43,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25 2026-02-10T11:40:43,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25 2026-02-10T11:40:43,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30 2026-02-10T11:40:43,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30 2026-02-10T11:40:43,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54 2026-02-10T11:40:43,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54 2026-02-10T11:40:43,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B 2026-02-10T11:40:43,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B 2026-02-10T11:40:43,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B 2026-02-10T11:40:43,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B 2026-02-10T11:40:43,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A 2026-02-10T11:40:43,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A 2026-02-10T11:40:43,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B 2026-02-10T11:40:43,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B 2026-02-10T11:40:43,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B 2026-02-10T11:40:43,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B 2026-02-10T11:40:43,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B 2026-02-10T11:40:43,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B 2026-02-10T11:40:43,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A 2026-02-10T11:40:43,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A 2026-02-10T11:40:43,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B 2026-02-10T11:40:43,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B 2026-02-10T11:40:43,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53 2026-02-10T11:40:43,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53 2026-02-10T11:40:43,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B 2026-02-10T11:40:43,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B 2026-02-10T11:40:43,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B 2026-02-10T11:40:43,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B 2026-02-10T11:40:43,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B 2026-02-10T11:40:43,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B 2026-02-10T11:40:43,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43 2026-02-10T11:40:43,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43 2026-02-10T11:40:43,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57 2026-02-10T11:40:43,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57 2026-02-10T11:40:43,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B 2026-02-10T11:40:43,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B 2026-02-10T11:40:43,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56 2026-02-10T11:40:43,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56 2026-02-10T11:40:43,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09 2026-02-10T11:40:43,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09 2026-02-10T11:40:43,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37 2026-02-10T11:40:43,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37 2026-02-10T11:40:43,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22 2026-02-10T11:40:43,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22 2026-02-10T11:40:43,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A 2026-02-10T11:40:43,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A 2026-02-10T11:40:43,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A 2026-02-10T11:40:43,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A 2026-02-10T11:40:43,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A 2026-02-10T11:40:43,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A 2026-02-10T11:40:43,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A 2026-02-10T11:40:43,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A 2026-02-10T11:40:43,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23 2026-02-10T11:40:43,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23 2026-02-10T11:40:43,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B 2026-02-10T11:40:43,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B 2026-02-10T11:40:43,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A 2026-02-10T11:40:43,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A 2026-02-10T11:40:43,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A 2026-02-10T11:40:43,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A 2026-02-10T11:40:43,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A 2026-02-10T11:40:43,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A 2026-02-10T11:40:43,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A 2026-02-10T11:40:43,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A 2026-02-10T11:40:43,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A 2026-02-10T11:40:43,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A 2026-02-10T11:40:43,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B 2026-02-10T11:40:43,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B 2026-02-10T11:40:43,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A 2026-02-10T11:40:43,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A 2026-02-10T11:40:43,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10 2026-02-10T11:40:43,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10 2026-02-10T11:40:43,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47 2026-02-10T11:40:43,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47 2026-02-10T11:40:43,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06 2026-02-10T11:40:43,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06 2026-02-10T11:40:43,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28 2026-02-10T11:40:43,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28 2026-02-10T11:40:43,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B 2026-02-10T11:40:43,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B 2026-02-10T11:40:43,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26 2026-02-10T11:40:43,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26 2026-02-10T11:40:43,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A 2026-02-10T11:40:43,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A 2026-02-10T11:40:43,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A 2026-02-10T11:40:43,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A 2026-02-10T11:40:43,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A 2026-02-10T11:40:43,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A 2026-02-10T11:40:43,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40 2026-02-10T11:40:43,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40 2026-02-10T11:40:43,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50 2026-02-10T11:40:43,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50 2026-02-10T11:40:43,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A 2026-02-10T11:40:43,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A 2026-02-10T11:40:43,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B 2026-02-10T11:40:43,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B 2026-02-10T11:40:43,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51 2026-02-10T11:40:43,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51 2026-02-10T11:40:43,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B 2026-02-10T11:40:43,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B 2026-02-10T11:40:43,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11 2026-02-10T11:40:43,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11 2026-02-10T11:40:43,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32 2026-02-10T11:40:43,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32 2026-02-10T11:40:43,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B 2026-02-10T11:40:43,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B 2026-02-10T11:40:43,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A 2026-02-10T11:40:43,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A 2026-02-10T11:40:43,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B 2026-02-10T11:40:43,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B 2026-02-10T11:40:43,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A 2026-02-10T11:40:43,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A 2026-02-10T11:40:43,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24 2026-02-10T11:40:43,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24 2026-02-10T11:40:43,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A 2026-02-10T11:40:43,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A 2026-02-10T11:40:43,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15 2026-02-10T11:40:43,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15 2026-02-10T11:40:43,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B 2026-02-10T11:40:43,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B 2026-02-10T11:40:43,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B 2026-02-10T11:40:43,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B 2026-02-10T11:40:43,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B 2026-02-10T11:40:43,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B 2026-02-10T11:40:43,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03 2026-02-10T11:40:43,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03 2026-02-10T11:40:43,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A 2026-02-10T11:40:43,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A 2026-02-10T11:40:43,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17 2026-02-10T11:40:43,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17 2026-02-10T11:40:43,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B 2026-02-10T11:40:43,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B 2026-02-10T11:40:43,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B 2026-02-10T11:40:43,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B 2026-02-10T11:40:43,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21 2026-02-10T11:40:43,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21 2026-02-10T11:40:43,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A 2026-02-10T11:40:43,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A 2026-02-10T11:40:43,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A 2026-02-10T11:40:43,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A 2026-02-10T11:40:43,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B 2026-02-10T11:40:43,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B 2026-02-10T11:40:43,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B 2026-02-10T11:40:43,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B 2026-02-10T11:40:43,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B 2026-02-10T11:40:43,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B 2026-02-10T11:40:43,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60 2026-02-10T11:40:43,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60 2026-02-10T11:40:43,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A 2026-02-10T11:40:43,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A 2026-02-10T11:40:43,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52 2026-02-10T11:40:43,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52 2026-02-10T11:40:43,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42 2026-02-10T11:40:43,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42 2026-02-10T11:40:43,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A 2026-02-10T11:40:43,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A 2026-02-10T11:40:43,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39 2026-02-10T11:40:43,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39 2026-02-10T11:40:43,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35 2026-02-10T11:40:43,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35 2026-02-10T11:40:43,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B 2026-02-10T11:40:43,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B 2026-02-10T11:40:43,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14 2026-02-10T11:40:43,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14 2026-02-10T11:40:43,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B 2026-02-10T11:40:43,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B 2026-02-10T11:40:43,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B 2026-02-10T11:40:43,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B 2026-02-10T11:40:43,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19 2026-02-10T11:40:43,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19 2026-02-10T11:40:43,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33 2026-02-10T11:40:43,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33 2026-02-10T11:40:43,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A 2026-02-10T11:40:43,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A 2026-02-10T11:40:43,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B 2026-02-10T11:40:43,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B 2026-02-10T11:40:43,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B 2026-02-10T11:40:43,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B 2026-02-10T11:40:43,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65 2026-02-10T11:40:43,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65 2026-02-10T11:40:43,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58 2026-02-10T11:40:43,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58 2026-02-10T11:40:43,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29 2026-02-10T11:40:43,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29 2026-02-10T11:40:43,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A 2026-02-10T11:40:43,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A 2026-02-10T11:40:43,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B 2026-02-10T11:40:43,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B 2026-02-10T11:40:43,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A 2026-02-10T11:40:43,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A 2026-02-10T11:40:43,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B 2026-02-10T11:40:43,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B 2026-02-10T11:40:43,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A 2026-02-10T11:40:43,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A 2026-02-10T11:40:43,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31 2026-02-10T11:40:43,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31 2026-02-10T11:40:43,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228 2026-02-10T11:40:43,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228 2026-02-10T11:40:43,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A 2026-02-10T11:40:43,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A 2026-02-10T11:40:43,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A 2026-02-10T11:40:43,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A 2026-02-10T11:40:43,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A 2026-02-10T11:40:43,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A 2026-02-10T11:40:43,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231 2026-02-10T11:40:43,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231 2026-02-10T11:40:43,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214 2026-02-10T11:40:43,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214 2026-02-10T11:40:43,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212 2026-02-10T11:40:43,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212 2026-02-10T11:40:43,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230 2026-02-10T11:40:44,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230 2026-02-10T11:40:44,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B 2026-02-10T11:40:44,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B 2026-02-10T11:40:44,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187 2026-02-10T11:40:44,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187 2026-02-10T11:40:44,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147 2026-02-10T11:40:44,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147 2026-02-10T11:40:44,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213 2026-02-10T11:40:44,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213 2026-02-10T11:40:44,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B 2026-02-10T11:40:44,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B 2026-02-10T11:40:44,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A 2026-02-10T11:40:44,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A 2026-02-10T11:40:44,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A 2026-02-10T11:40:44,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A 2026-02-10T11:40:44,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A 2026-02-10T11:40:44,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A 2026-02-10T11:40:44,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B 2026-02-10T11:40:44,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B 2026-02-10T11:40:44,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A 2026-02-10T11:40:44,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A 2026-02-10T11:40:44,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A 2026-02-10T11:40:44,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A 2026-02-10T11:40:44,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148 2026-02-10T11:40:44,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148 2026-02-10T11:40:44,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150 2026-02-10T11:40:44,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150 2026-02-10T11:40:44,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229 2026-02-10T11:40:44,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229 2026-02-10T11:40:44,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B 2026-02-10T11:40:44,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B 2026-02-10T11:40:44,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B 2026-02-10T11:40:44,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B 2026-02-10T11:40:44,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B 2026-02-10T11:40:44,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B 2026-02-10T11:40:44,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A 2026-02-10T11:40:44,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A 2026-02-10T11:40:44,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008 2026-02-10T11:40:44,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008 2026-02-10T11:40:44,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B 2026-02-10T11:40:44,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B 2026-02-10T11:40:44,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202 2026-02-10T11:40:44,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202 2026-02-10T11:40:44,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B 2026-02-10T11:40:44,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B 2026-02-10T11:40:44,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152 2026-02-10T11:40:44,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152 2026-02-10T11:40:44,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A 2026-02-10T11:40:44,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A 2026-02-10T11:40:44,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B 2026-02-10T11:40:44,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B 2026-02-10T11:40:44,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227 2026-02-10T11:40:44,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227 2026-02-10T11:40:44,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A 2026-02-10T11:40:44,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A 2026-02-10T11:40:44,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A 2026-02-10T11:40:44,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A 2026-02-10T11:40:44,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B 2026-02-10T11:40:44,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B 2026-02-10T11:40:44,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B 2026-02-10T11:40:44,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B 2026-02-10T11:40:44,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A 2026-02-10T11:40:44,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A 2026-02-10T11:40:44,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B 2026-02-10T11:40:44,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B 2026-02-10T11:40:44,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144 2026-02-10T11:40:44,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144 2026-02-10T11:40:44,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B 2026-02-10T11:40:44,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B 2026-02-10T11:40:44,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B 2026-02-10T11:40:44,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B 2026-02-10T11:40:44,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A 2026-02-10T11:40:44,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A 2026-02-10T11:40:44,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A 2026-02-10T11:40:44,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A 2026-02-10T11:40:44,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B 2026-02-10T11:40:44,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B 2026-02-10T11:40:44,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A 2026-02-10T11:40:44,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A 2026-02-10T11:40:44,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B 2026-02-10T11:40:44,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B 2026-02-10T11:40:44,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5 2026-02-10T11:40:44,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5 2026-02-10T11:40:44,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:40:44,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:40:44,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:40:44,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:40:44,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:40:44,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:40:44,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op 2026-02-10T11:40:44,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op 2026-02-10T11:40:44,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:40:44,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:40:44,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:40:44,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:40:44,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm 2026-02-10T11:40:44,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm 2026-02-10T11:40:44,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:40:44,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:40:44,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c 2026-02-10T11:40:44,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c 2026-02-10T11:40:44,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:40:44,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:40:44,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:40:44,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:40:44,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:40:44,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:40:44,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O 2026-02-10T11:40:44,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O 2026-02-10T11:40:44,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:40:44,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:40:44,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:40:44,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:40:44,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es 2026-02-10T11:40:44,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es 2026-02-10T11:40:44,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:40:44,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:40:44,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:40:44,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:40:44,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:40:44,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:40:44,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b 2026-02-10T11:40:44,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b 2026-02-10T11:40:44,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4 2026-02-10T11:40:44,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4 2026-02-10T11:40:44,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:40:44,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:40:44,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3 2026-02-10T11:40:44,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3 2026-02-10T11:40:44,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6 2026-02-10T11:40:44,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6 2026-02-10T11:40:44,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:40:44,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:40:44,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20 2026-02-10T11:40:44,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20 2026-02-10T11:40:44,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:40:44,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:40:44,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2 2026-02-10T11:40:44,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2 2026-02-10T11:40:44,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:40:44,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:40:44,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18 2026-02-10T11:40:44,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18 2026-02-10T11:40:44,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n 2026-02-10T11:40:44,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n 2026-02-10T11:40:44,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o 2026-02-10T11:40:44,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o 2026-02-10T11:40:44,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24 2026-02-10T11:40:44,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24 2026-02-10T11:40:44,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si- 2026-02-10T11:40:44,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si- 2026-02-10T11:40:44,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15 2026-02-10T11:40:44,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15 2026-02-10T11:40:44,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n 2026-02-10T11:40:44,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n 2026-02-10T11:40:44,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21 2026-02-10T11:40:44,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21 2026-02-10T11:40:44,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17 2026-02-10T11:40:44,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17 2026-02-10T11:40:44,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n 2026-02-10T11:40:44,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n 2026-02-10T11:40:44,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p- 2026-02-10T11:40:44,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p- 2026-02-10T11:40:44,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13 2026-02-10T11:40:44,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13 2026-02-10T11:40:44,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n 2026-02-10T11:40:44,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n 2026-02-10T11:40:44,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n 2026-02-10T11:40:44,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n 2026-02-10T11:40:44,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n 2026-02-10T11:40:44,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n 2026-02-10T11:40:44,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22 2026-02-10T11:40:44,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22 2026-02-10T11:40:44,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n 2026-02-10T11:40:44,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n 2026-02-10T11:40:44,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14 2026-02-10T11:40:44,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14 2026-02-10T11:40:44,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f 2026-02-10T11:40:44,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f 2026-02-10T11:40:44,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n 2026-02-10T11:40:44,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n 2026-02-10T11:40:44,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n 2026-02-10T11:40:44,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n 2026-02-10T11:40:44,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n 2026-02-10T11:40:44,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n 2026-02-10T11:40:44,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8 2026-02-10T11:40:44,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8 2026-02-10T11:40:44,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11 2026-02-10T11:40:44,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11 2026-02-10T11:40:44,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20 2026-02-10T11:40:44,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20 2026-02-10T11:40:44,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23 2026-02-10T11:40:44,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23 2026-02-10T11:40:44,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si 2026-02-10T11:40:44,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si 2026-02-10T11:40:44,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25 2026-02-10T11:40:44,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25 2026-02-10T11:40:44,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n 2026-02-10T11:40:44,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n 2026-02-10T11:40:44,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9 2026-02-10T11:40:44,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9 2026-02-10T11:40:44,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s 2026-02-10T11:40:44,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s 2026-02-10T11:40:44,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12 2026-02-10T11:40:44,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12 2026-02-10T11:40:44,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n 2026-02-10T11:40:44,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n 2026-02-10T11:40:44,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c 2026-02-10T11:40:44,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c 2026-02-10T11:40:44,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n 2026-02-10T11:40:44,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n 2026-02-10T11:40:44,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n 2026-02-10T11:40:44,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n 2026-02-10T11:40:44,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl 2026-02-10T11:40:44,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl 2026-02-10T11:40:44,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19 2026-02-10T11:40:44,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19 2026-02-10T11:40:44,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n 2026-02-10T11:40:44,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n 2026-02-10T11:40:44,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10 2026-02-10T11:40:44,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10 2026-02-10T11:40:44,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:40:44,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:40:44,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16 2026-02-10T11:40:44,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16 2026-02-10T11:40:44,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p 2026-02-10T11:40:44,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p 2026-02-10T11:40:44,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c- 2026-02-10T11:40:44,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c- 2026-02-10T11:40:44,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f- 2026-02-10T11:40:44,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f- 2026-02-10T11:40:44,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n 2026-02-10T11:40:44,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n 2026-02-10T11:40:44,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n 2026-02-10T11:40:44,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n 2026-02-10T11:40:44,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o- 2026-02-10T11:40:44,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o- 2026-02-10T11:40:44,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n 2026-02-10T11:40:44,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n 2026-02-10T11:40:44,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s- 2026-02-10T11:40:44,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s- 2026-02-10T11:40:44,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b 2026-02-10T11:40:44,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b 2026-02-10T11:40:44,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b 2026-02-10T11:40:44,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b 2026-02-10T11:40:44,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a 2026-02-10T11:40:44,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a 2026-02-10T11:40:44,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07 2026-02-10T11:40:44,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07 2026-02-10T11:40:44,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b 2026-02-10T11:40:44,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b 2026-02-10T11:40:44,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a 2026-02-10T11:40:44,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a 2026-02-10T11:40:44,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b 2026-02-10T11:40:44,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b 2026-02-10T11:40:44,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02 2026-02-10T11:40:44,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02 2026-02-10T11:40:44,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12 2026-02-10T11:40:44,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12 2026-02-10T11:40:44,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b 2026-02-10T11:40:44,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b 2026-02-10T11:40:44,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a 2026-02-10T11:40:44,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a 2026-02-10T11:40:44,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a 2026-02-10T11:40:44,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a 2026-02-10T11:40:44,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b 2026-02-10T11:40:44,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b 2026-02-10T11:40:44,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b 2026-02-10T11:40:44,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b 2026-02-10T11:40:44,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18 2026-02-10T11:40:44,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18 2026-02-10T11:40:44,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13 2026-02-10T11:40:44,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13 2026-02-10T11:40:44,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a 2026-02-10T11:40:44,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a 2026-02-10T11:40:44,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a 2026-02-10T11:40:44,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a 2026-02-10T11:40:44,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a 2026-02-10T11:40:44,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a 2026-02-10T11:40:44,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b 2026-02-10T11:40:44,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b 2026-02-10T11:40:44,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05 2026-02-10T11:40:44,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05 2026-02-10T11:40:44,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20 2026-02-10T11:40:44,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20 2026-02-10T11:40:44,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01 2026-02-10T11:40:44,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01 2026-02-10T11:40:44,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a 2026-02-10T11:40:44,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a 2026-02-10T11:40:44,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a 2026-02-10T11:40:44,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a 2026-02-10T11:40:44,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b 2026-02-10T11:40:44,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b 2026-02-10T11:40:44,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b 2026-02-10T11:40:44,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b 2026-02-10T11:40:44,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a 2026-02-10T11:40:44,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a 2026-02-10T11:40:44,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08 2026-02-10T11:40:44,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08 2026-02-10T11:40:44,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b 2026-02-10T11:40:44,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b 2026-02-10T11:40:44,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a 2026-02-10T11:40:44,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a 2026-02-10T11:40:44,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04 2026-02-10T11:40:44,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04 2026-02-10T11:40:44,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16 2026-02-10T11:40:44,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16 2026-02-10T11:40:44,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a 2026-02-10T11:40:44,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a 2026-02-10T11:40:44,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b 2026-02-10T11:40:44,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b 2026-02-10T11:40:44,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a 2026-02-10T11:40:44,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a 2026-02-10T11:40:44,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a 2026-02-10T11:40:44,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a 2026-02-10T11:40:44,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09 2026-02-10T11:40:44,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09 2026-02-10T11:40:44,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22 2026-02-10T11:40:44,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22 2026-02-10T11:40:44,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10 2026-02-10T11:40:44,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10 2026-02-10T11:40:44,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06 2026-02-10T11:40:44,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06 2026-02-10T11:40:44,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a 2026-02-10T11:40:44,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a 2026-02-10T11:40:44,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a 2026-02-10T11:40:44,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a 2026-02-10T11:40:44,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a 2026-02-10T11:40:44,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a 2026-02-10T11:40:44,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a 2026-02-10T11:40:44,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a 2026-02-10T11:40:44,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b 2026-02-10T11:40:44,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b 2026-02-10T11:40:44,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11 2026-02-10T11:40:44,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11 2026-02-10T11:40:44,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15 2026-02-10T11:40:44,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15 2026-02-10T11:40:44,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03 2026-02-10T11:40:44,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03 2026-02-10T11:40:44,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17 2026-02-10T11:40:44,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17 2026-02-10T11:40:44,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a 2026-02-10T11:40:44,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a 2026-02-10T11:40:44,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21 2026-02-10T11:40:44,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21 2026-02-10T11:40:44,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a 2026-02-10T11:40:44,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a 2026-02-10T11:40:44,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a 2026-02-10T11:40:44,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a 2026-02-10T11:40:44,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a 2026-02-10T11:40:44,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a 2026-02-10T11:40:44,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14 2026-02-10T11:40:44,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14 2026-02-10T11:40:44,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19 2026-02-10T11:40:44,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19 2026-02-10T11:40:44,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:40:44,649 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 2026-02-10T11:40:44,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:40:44,653 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 2026-02-10T11:40:44,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:40:44,657 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 2026-02-10T11:40:44,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he 2026-02-10T11:40:44,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he 2026-02-10T11:40:44,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:40:44,664 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 2026-02-10T11:40:44,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3 2026-02-10T11:40:44,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3 2026-02-10T11:40:44,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:40:44,672 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 2026-02-10T11:40:44,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:40:44,676 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 2026-02-10T11:40:44,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:40:44,680 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 2026-02-10T11:40:44,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:40:44,684 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 2026-02-10T11:40:44,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:40:44,688 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 2026-02-10T11:40:44,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:40:44,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:40:44,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:40:44,696 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 2026-02-10T11:40:44,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h 2026-02-10T11:40:44,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h 2026-02-10T11:40:44,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o 2026-02-10T11:40:44,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o 2026-02-10T11:40:44,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:40:44,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:40:44,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:40:44,712 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 2026-02-10T11:40:44,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:40:44,716 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 2026-02-10T11:40:44,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:40:44,719 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 2026-02-10T11:40:44,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:40:44,723 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 2026-02-10T11:40:44,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:40:44,727 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 2026-02-10T11:40:44,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+ 2026-02-10T11:40:44,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+ 2026-02-10T11:40:44,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:40:44,735 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 2026-02-10T11:40:44,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9 2026-02-10T11:40:44,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9 2026-02-10T11:40:44,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3 2026-02-10T11:40:44,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3 2026-02-10T11:40:44,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4 2026-02-10T11:40:44,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4 2026-02-10T11:40:44,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6 2026-02-10T11:40:44,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6 2026-02-10T11:40:44,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X 2026-02-10T11:40:44,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X 2026-02-10T11:40:44,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10 2026-02-10T11:40:44,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10 2026-02-10T11:40:44,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein 2026-02-10T11:40:44,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein 2026-02-10T11:40:44,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X 2026-02-10T11:40:44,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X 2026-02-10T11:40:44,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X 2026-02-10T11:40:44,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X 2026-02-10T11:40:44,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7 2026-02-10T11:40:44,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7 2026-02-10T11:40:44,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene 2026-02-10T11:40:44,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene 2026-02-10T11:40:44,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1 2026-02-10T11:40:44,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1 2026-02-10T11:40:44,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2 2026-02-10T11:40:44,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2 2026-02-10T11:40:44,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X 2026-02-10T11:40:44,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X 2026-02-10T11:40:44,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH 2026-02-10T11:40:44,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH 2026-02-10T11:40:44,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5 2026-02-10T11:40:44,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5 2026-02-10T11:40:44,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene 2026-02-10T11:40:44,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene 2026-02-10T11:40:44,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine 2026-02-10T11:40:44,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine 2026-02-10T11:40:44,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8 2026-02-10T11:40:44,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8 2026-02-10T11:40:44,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane 2026-02-10T11:40:44,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane 2026-02-10T11:40:44,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene 2026-02-10T11:40:44,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene 2026-02-10T11:40:44,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene 2026-02-10T11:40:44,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene 2026-02-10T11:40:44,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e 2026-02-10T11:40:44,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e 2026-02-10T11:40:44,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e 2026-02-10T11:40:44,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e 2026-02-10T11:40:44,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e 2026-02-10T11:40:44,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e 2026-02-10T11:40:44,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p 2026-02-10T11:40:44,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p 2026-02-10T11:40:44,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e 2026-02-10T11:40:44,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e 2026-02-10T11:40:44,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p 2026-02-10T11:40:44,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p 2026-02-10T11:40:44,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e 2026-02-10T11:40:44,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e 2026-02-10T11:40:44,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e 2026-02-10T11:40:44,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e 2026-02-10T11:40:44,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p 2026-02-10T11:40:44,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p 2026-02-10T11:40:44,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e 2026-02-10T11:40:44,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e 2026-02-10T11:40:44,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e 2026-02-10T11:40:44,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e 2026-02-10T11:40:44,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e 2026-02-10T11:40:44,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e 2026-02-10T11:40:44,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p 2026-02-10T11:40:44,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p 2026-02-10T11:40:44,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p 2026-02-10T11:40:44,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p 2026-02-10T11:40:44,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p 2026-02-10T11:40:44,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p 2026-02-10T11:40:44,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p 2026-02-10T11:40:44,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p 2026-02-10T11:40:44,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p 2026-02-10T11:40:44,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p 2026-02-10T11:40:44,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p 2026-02-10T11:40:44,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p 2026-02-10T11:40:44,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p 2026-02-10T11:40:44,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p 2026-02-10T11:40:44,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p 2026-02-10T11:40:44,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p 2026-02-10T11:40:44,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e 2026-02-10T11:40:44,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e 2026-02-10T11:40:44,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e 2026-02-10T11:40:44,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e 2026-02-10T11:40:44,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e 2026-02-10T11:40:44,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e 2026-02-10T11:40:44,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e 2026-02-10T11:40:44,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e 2026-02-10T11:40:44,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p 2026-02-10T11:40:44,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p 2026-02-10T11:40:44,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e 2026-02-10T11:40:44,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e 2026-02-10T11:40:44,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p 2026-02-10T11:40:44,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p 2026-02-10T11:40:44,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p 2026-02-10T11:40:44,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p 2026-02-10T11:40:44,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e 2026-02-10T11:40:44,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e 2026-02-10T11:40:44,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p 2026-02-10T11:40:44,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p 2026-02-10T11:40:44,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e 2026-02-10T11:40:44,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e 2026-02-10T11:40:44,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e 2026-02-10T11:40:44,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e 2026-02-10T11:40:44,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e 2026-02-10T11:40:44,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e 2026-02-10T11:40:44,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p 2026-02-10T11:40:44,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p 2026-02-10T11:40:44,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e 2026-02-10T11:40:44,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e 2026-02-10T11:40:44,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p 2026-02-10T11:40:44,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p 2026-02-10T11:40:44,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p 2026-02-10T11:40:44,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p 2026-02-10T11:40:44,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p 2026-02-10T11:40:44,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p 2026-02-10T11:40:44,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p 2026-02-10T11:40:44,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p 2026-02-10T11:40:44,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e 2026-02-10T11:40:44,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e 2026-02-10T11:40:44,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p 2026-02-10T11:40:44,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p 2026-02-10T11:40:44,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p 2026-02-10T11:40:44,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p 2026-02-10T11:40:45,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e 2026-02-10T11:40:45,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e 2026-02-10T11:40:45,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e 2026-02-10T11:40:45,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e 2026-02-10T11:40:45,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p 2026-02-10T11:40:45,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p 2026-02-10T11:40:45,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e 2026-02-10T11:40:45,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e 2026-02-10T11:40:45,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e 2026-02-10T11:40:45,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e 2026-02-10T11:40:45,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p 2026-02-10T11:40:45,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p 2026-02-10T11:40:45,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh 2026-02-10T11:40:45,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh 2026-02-10T11:40:45,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4 2026-02-10T11:40:45,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4 2026-02-10T11:40:45,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A 2026-02-10T11:40:45,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A 2026-02-10T11:40:45,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p 2026-02-10T11:40:45,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p 2026-02-10T11:40:45,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p 2026-02-10T11:40:45,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p 2026-02-10T11:40:45,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s 2026-02-10T11:40:45,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s 2026-02-10T11:40:45,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3 2026-02-10T11:40:45,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3 2026-02-10T11:40:45,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp 2026-02-10T11:40:45,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp 2026-02-10T11:40:45,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G 2026-02-10T11:40:45,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G 2026-02-10T11:40:45,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol 2026-02-10T11:40:45,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol 2026-02-10T11:40:45,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp 2026-02-10T11:40:45,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp 2026-02-10T11:40:45,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6 2026-02-10T11:40:45,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6 2026-02-10T11:40:45,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2 2026-02-10T11:40:45,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2 2026-02-10T11:40:45,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp 2026-02-10T11:40:45,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp 2026-02-10T11:40:45,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4 2026-02-10T11:40:45,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4 2026-02-10T11:40:45,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp 2026-02-10T11:40:45,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp 2026-02-10T11:40:45,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p 2026-02-10T11:40:45,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p 2026-02-10T11:40:45,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp 2026-02-10T11:40:45,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp 2026-02-10T11:40:45,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly 2026-02-10T11:40:45,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly 2026-02-10T11:40:45,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp 2026-02-10T11:40:45,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp 2026-02-10T11:40:45,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp 2026-02-10T11:40:45,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp 2026-02-10T11:40:45,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol 2026-02-10T11:40:45,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol 2026-02-10T11:40:45,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p 2026-02-10T11:40:45,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p 2026-02-10T11:40:45,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p 2026-02-10T11:40:45,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p 2026-02-10T11:40:45,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap 2026-02-10T11:40:45,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap 2026-02-10T11:40:45,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp 2026-02-10T11:40:45,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp 2026-02-10T11:40:45,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp 2026-02-10T11:40:45,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp 2026-02-10T11:40:45,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3 2026-02-10T11:40:45,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3 2026-02-10T11:40:45,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o 2026-02-10T11:40:45,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o 2026-02-10T11:40:45,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6 2026-02-10T11:40:45,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6 2026-02-10T11:40:45,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:40:45,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:40:45,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p 2026-02-10T11:40:45,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p 2026-02-10T11:40:45,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p 2026-02-10T11:40:45,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p 2026-02-10T11:40:45,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p 2026-02-10T11:40:45,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p 2026-02-10T11:40:45,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8 2026-02-10T11:40:45,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8 2026-02-10T11:40:45,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys 2026-02-10T11:40:45,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys 2026-02-10T11:40:45,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s 2026-02-10T11:40:45,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s 2026-02-10T11:40:45,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p 2026-02-10T11:40:45,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p 2026-02-10T11:40:45,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C 2026-02-10T11:40:45,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C 2026-02-10T11:40:45,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:40:45,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:40:45,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass 2026-02-10T11:40:45,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass 2026-02-10T11:40:45,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2 2026-02-10T11:40:45,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2 2026-02-10T11:40:45,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T 2026-02-10T11:40:45,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T 2026-02-10T11:40:45,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp 2026-02-10T11:40:45,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp 2026-02-10T11:40:45,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op 2026-02-10T11:40:45,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op 2026-02-10T11:40:45,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp 2026-02-10T11:40:45,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp 2026-02-10T11:40:45,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6 2026-02-10T11:40:45,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6 2026-02-10T11:40:45,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p 2026-02-10T11:40:45,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p 2026-02-10T11:40:45,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p 2026-02-10T11:40:45,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p 2026-02-10T11:40:45,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl 2026-02-10T11:40:45,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl 2026-02-10T11:40:45,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp 2026-02-10T11:40:45,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp 2026-02-10T11:40:45,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2 2026-02-10T11:40:45,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2 2026-02-10T11:40:45,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2 2026-02-10T11:40:45,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2 2026-02-10T11:40:45,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2 2026-02-10T11:40:45,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2 2026-02-10T11:40:45,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4 2026-02-10T11:40:45,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4 2026-02-10T11:40:45,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2 2026-02-10T11:40:45,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2 2026-02-10T11:40:45,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2 2026-02-10T11:40:45,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2 2026-02-10T11:40:45,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6 2026-02-10T11:40:45,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6 2026-02-10T11:40:45,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1 2026-02-10T11:40:45,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1 2026-02-10T11:40:45,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene 2026-02-10T11:40:45,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene 2026-02-10T11:40:45,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:40:45,220 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 2026-02-10T11:40:45,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen 2026-02-10T11:40:45,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen 2026-02-10T11:40:45,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:40:45,226 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 2026-02-10T11:40:45,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:40:45,229 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 2026-02-10T11:40:45,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be 2026-02-10T11:40:45,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be 2026-02-10T11:40:45,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35 2026-02-10T11:40:45,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35 2026-02-10T11:40:45,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8 2026-02-10T11:40:45,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8 2026-02-10T11:40:45,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb 2026-02-10T11:40:45,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb 2026-02-10T11:40:45,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip 2026-02-10T11:40:45,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip 2026-02-10T11:40:45,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage 2026-02-10T11:40:45,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage 2026-02-10T11:40:45,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2 2026-02-10T11:40:45,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2 2026-02-10T11:40:45,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3 2026-02-10T11:40:45,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3 2026-02-10T11:40:45,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:40:45,258 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 2026-02-10T11:40:45,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl 2026-02-10T11:40:45,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl 2026-02-10T11:40:45,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne 2026-02-10T11:40:45,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne 2026-02-10T11:40:45,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35 2026-02-10T11:40:45,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35 2026-02-10T11:40:45,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6 2026-02-10T11:40:45,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6 2026-02-10T11:40:45,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36 2026-02-10T11:40:45,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36 2026-02-10T11:40:45,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4 2026-02-10T11:40:45,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4 2026-02-10T11:40:45,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36 2026-02-10T11:40:45,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36 2026-02-10T11:40:45,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen 2026-02-10T11:40:45,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen 2026-02-10T11:40:45,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL 2026-02-10T11:40:45,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL 2026-02-10T11:40:45,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:40:45,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:40:45,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:40:45,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:40:45,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99 2026-02-10T11:40:45,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99 2026-02-10T11:40:45,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215 2026-02-10T11:40:45,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215 2026-02-10T11:40:45,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:40:45,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:40:45,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357 2026-02-10T11:40:45,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357 2026-02-10T11:40:45,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470 2026-02-10T11:40:45,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470 2026-02-10T11:40:45,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:40:45,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:40:45,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b 2026-02-10T11:40:45,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b 2026-02-10T11:40:45,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224 2026-02-10T11:40:45,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224 2026-02-10T11:40:45,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:40:45,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:40:45,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114 2026-02-10T11:40:45,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114 2026-02-10T11:40:45,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691 2026-02-10T11:40:45,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691 2026-02-10T11:40:45,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300 2026-02-10T11:40:45,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300 2026-02-10T11:40:45,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:40:45,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:40:45,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366 2026-02-10T11:40:45,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366 2026-02-10T11:40:45,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:40:45,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:40:45,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:40:45,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:40:45,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444 2026-02-10T11:40:45,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444 2026-02-10T11:40:45,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412 2026-02-10T11:40:45,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412 2026-02-10T11:40:45,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:40:45,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:40:45,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:40:45,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:40:45,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:40:45,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:40:45,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:40:45,373 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 2026-02-10T11:40:45,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:40:45,377 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 2026-02-10T11:40:45,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:40:45,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:40:45,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:40:45,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:40:45,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:40:45,390 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 2026-02-10T11:40:45,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:40:45,394 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 2026-02-10T11:40:45,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI 2026-02-10T11:40:45,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI 2026-02-10T11:40:45,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:40:45,402 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 2026-02-10T11:40:45,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:40:45,406 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 2026-02-10T11:40:45,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe 2026-02-10T11:40:45,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe 2026-02-10T11:40:45,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:40:45,414 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 2026-02-10T11:40:45,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr 2026-02-10T11:40:45,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr 2026-02-10T11:40:45,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:40:45,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:40:45,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI 2026-02-10T11:40:45,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI 2026-02-10T11:40:45,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:40:45,429 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 2026-02-10T11:40:45,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:40:45,433 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 2026-02-10T11:40:45,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:40:45,437 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 2026-02-10T11:40:45,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:40:45,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:40:45,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:40:45,445 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 2026-02-10T11:40:45,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:40:45,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:40:45,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:40:45,451 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 2026-02-10T11:40:45,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:40:45,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:40:45,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:40:45,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:40:45,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:40:45,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:40:45,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:40:45,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:40:45,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:40:45,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:40:45,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:40:45,470 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 2026-02-10T11:40:45,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI 2026-02-10T11:40:45,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI 2026-02-10T11:40:45,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:40:45,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:40:45,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH 2026-02-10T11:40:45,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH 2026-02-10T11:40:45,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:40:45,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:40:45,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:40:45,486 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 2026-02-10T11:40:45,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:40:45,490 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 2026-02-10T11:40:45,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:40:45,493 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 2026-02-10T11:40:45,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:40:45,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:40:45,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:40:45,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:40:45,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2 2026-02-10T11:40:45,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2 2026-02-10T11:40:45,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:40:45,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:40:45,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:40:45,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:40:45,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:40:45,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:40:45,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3 2026-02-10T11:40:45,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3 2026-02-10T11:40:45,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:40:45,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:40:45,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:40:45,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:40:45,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:40:45,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:40:45,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:40:45,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:40:45,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH 2026-02-10T11:40:45,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH 2026-02-10T11:40:45,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:40:45,536 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 2026-02-10T11:40:45,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:40:45,539 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 2026-02-10T11:40:45,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:40:45,543 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 2026-02-10T11:40:45,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:40:45,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:40:45,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:40:45,550 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 2026-02-10T11:40:45,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:40:45,553 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 2026-02-10T11:40:45,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:40:45,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:40:45,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:40:45,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:40:45,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:40:45,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:40:45,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:40:45,566 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 2026-02-10T11:40:45,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:40:45,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:40:45,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:40:45,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:40:45,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:40:45,576 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 2026-02-10T11:40:45,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:40:45,579 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 2026-02-10T11:40:45,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:40:45,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:40:45,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH 2026-02-10T11:40:45,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH 2026-02-10T11:40:45,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl 2026-02-10T11:40:45,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl 2026-02-10T11:40:45,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:40:45,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:40:45,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:40:45,596 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 2026-02-10T11:40:45,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:40:45,600 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 2026-02-10T11:40:45,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS 2026-02-10T11:40:45,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS 2026-02-10T11:40:45,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:40:45,607 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 2026-02-10T11:40:45,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:40:45,610 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 2026-02-10T11:40:45,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:40:45,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:40:45,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:40:45,617 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 2026-02-10T11:40:45,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:40:45,620 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 2026-02-10T11:40:45,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:40:45,623 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 2026-02-10T11:40:45,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:40:45,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:40:45,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:40:45,631 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 2026-02-10T11:40:45,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:40:45,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:40:45,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:40:45,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:40:45,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:40:45,641 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 2026-02-10T11:40:45,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:40:45,644 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 2026-02-10T11:40:45,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:40:45,648 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 2026-02-10T11:40:45,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr 2026-02-10T11:40:45,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr 2026-02-10T11:40:45,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:40:45,655 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 2026-02-10T11:40:45,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:40:45,659 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 2026-02-10T11:40:45,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:40:45,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:40:45,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:40:45,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:40:45,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:40:45,672 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 2026-02-10T11:40:45,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:40:45,676 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 2026-02-10T11:40:45,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:40:45,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:40:45,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:40:45,682 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 2026-02-10T11:40:45,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI 2026-02-10T11:40:45,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI 2026-02-10T11:40:45,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:40:45,689 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 2026-02-10T11:40:45,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:40:45,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:40:45,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr 2026-02-10T11:40:45,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr 2026-02-10T11:40:45,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:40:45,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:40:45,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:40:45,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:40:45,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr 2026-02-10T11:40:45,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr 2026-02-10T11:40:45,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:40:45,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:40:45,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:40:45,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:40:45,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3 2026-02-10T11:40:45,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3 2026-02-10T11:40:45,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:40:45,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:40:45,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS 2026-02-10T11:40:45,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS 2026-02-10T11:40:45,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:40:45,728 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 2026-02-10T11:40:45,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:40:45,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:40:45,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64 2026-02-10T11:40:45,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64 2026-02-10T11:40:45,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+ 2026-02-10T11:40:45,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+ 2026-02-10T11:40:45,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74 2026-02-10T11:40:45,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74 2026-02-10T11:40:45,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12 2026-02-10T11:40:45,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12 2026-02-10T11:40:45,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+ 2026-02-10T11:40:45,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+ 2026-02-10T11:40:45,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18 2026-02-10T11:40:45,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18 2026-02-10T11:40:45,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59 2026-02-10T11:40:45,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59 2026-02-10T11:40:45,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+ 2026-02-10T11:40:45,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+ 2026-02-10T11:40:45,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34 2026-02-10T11:40:45,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34 2026-02-10T11:40:45,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13 2026-02-10T11:40:45,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13 2026-02-10T11:40:45,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77 2026-02-10T11:40:45,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77 2026-02-10T11:40:45,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b 2026-02-10T11:40:45,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b 2026-02-10T11:40:45,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76 2026-02-10T11:40:45,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76 2026-02-10T11:40:45,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+ 2026-02-10T11:40:45,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+ 2026-02-10T11:40:45,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48 2026-02-10T11:40:45,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48 2026-02-10T11:40:45,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137 2026-02-10T11:40:45,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137 2026-02-10T11:40:45,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45 2026-02-10T11:40:45,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45 2026-02-10T11:40:45,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+ 2026-02-10T11:40:45,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+ 2026-02-10T11:40:45,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+ 2026-02-10T11:40:45,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+ 2026-02-10T11:40:45,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+ 2026-02-10T11:40:45,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+ 2026-02-10T11:40:45,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o 2026-02-10T11:40:45,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o 2026-02-10T11:40:45,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be 2026-02-10T11:40:45,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be 2026-02-10T11:40:45,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73 2026-02-10T11:40:45,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73 2026-02-10T11:40:45,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20 2026-02-10T11:40:45,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20 2026-02-10T11:40:45,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+ 2026-02-10T11:40:45,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+ 2026-02-10T11:40:45,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+ 2026-02-10T11:40:45,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+ 2026-02-10T11:40:45,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na 2026-02-10T11:40:45,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na 2026-02-10T11:40:45,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+ 2026-02-10T11:40:45,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+ 2026-02-10T11:40:45,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80 2026-02-10T11:40:45,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80 2026-02-10T11:40:45,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75 2026-02-10T11:40:45,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75 2026-02-10T11:40:45,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70 2026-02-10T11:40:45,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70 2026-02-10T11:40:45,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66 2026-02-10T11:40:45,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66 2026-02-10T11:40:45,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si 2026-02-10T11:40:45,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si 2026-02-10T11:40:45,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n 2026-02-10T11:40:45,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n 2026-02-10T11:40:45,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h 2026-02-10T11:40:45,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h 2026-02-10T11:40:45,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65 2026-02-10T11:40:45,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65 2026-02-10T11:40:45,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li 2026-02-10T11:40:45,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li 2026-02-10T11:40:45,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44 2026-02-10T11:40:45,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44 2026-02-10T11:40:45,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25 2026-02-10T11:40:45,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25 2026-02-10T11:40:45,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30 2026-02-10T11:40:45,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30 2026-02-10T11:40:45,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s 2026-02-10T11:40:45,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s 2026-02-10T11:40:45,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68 2026-02-10T11:40:45,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68 2026-02-10T11:40:45,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg 2026-02-10T11:40:45,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg 2026-02-10T11:40:45,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67 2026-02-10T11:40:45,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67 2026-02-10T11:40:45,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78 2026-02-10T11:40:45,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78 2026-02-10T11:40:45,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43 2026-02-10T11:40:45,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43 2026-02-10T11:40:45,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37 2026-02-10T11:40:45,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37 2026-02-10T11:40:45,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22 2026-02-10T11:40:45,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22 2026-02-10T11:40:45,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p 2026-02-10T11:40:45,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p 2026-02-10T11:40:45,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26 2026-02-10T11:40:45,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26 2026-02-10T11:40:45,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+ 2026-02-10T11:40:45,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+ 2026-02-10T11:40:45,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72 2026-02-10T11:40:45,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72 2026-02-10T11:40:45,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f 2026-02-10T11:40:45,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f 2026-02-10T11:40:45,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+ 2026-02-10T11:40:45,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+ 2026-02-10T11:40:45,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60 2026-02-10T11:40:45,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60 2026-02-10T11:40:45,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl 2026-02-10T11:40:45,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl 2026-02-10T11:40:45,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65 2026-02-10T11:40:45,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65 2026-02-10T11:40:45,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51 2026-02-10T11:40:45,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51 2026-02-10T11:40:45,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71 2026-02-10T11:40:45,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71 2026-02-10T11:40:45,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11 2026-02-10T11:40:45,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11 2026-02-10T11:40:45,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61 2026-02-10T11:40:45,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61 2026-02-10T11:40:45,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+ 2026-02-10T11:40:45,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+ 2026-02-10T11:40:45,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c 2026-02-10T11:40:45,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c 2026-02-10T11:40:45,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+ 2026-02-10T11:40:45,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+ 2026-02-10T11:40:45,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14 2026-02-10T11:40:45,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14 2026-02-10T11:40:45,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al 2026-02-10T11:40:45,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al 2026-02-10T11:40:45,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19 2026-02-10T11:40:45,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19 2026-02-10T11:40:45,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62 2026-02-10T11:40:45,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62 2026-02-10T11:40:45,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8 2026-02-10T11:40:45,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8 2026-02-10T11:40:45,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79 2026-02-10T11:40:45,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79 2026-02-10T11:40:45,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63 2026-02-10T11:40:45,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63 2026-02-10T11:40:45,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25 2026-02-10T11:40:45,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25 2026-02-10T11:40:45,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24 2026-02-10T11:40:45,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24 2026-02-10T11:40:45,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23 2026-02-10T11:40:45,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23 2026-02-10T11:40:45,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19 2026-02-10T11:40:45,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19 2026-02-10T11:40:45,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21 2026-02-10T11:40:45,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21 2026-02-10T11:40:45,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26 2026-02-10T11:40:45,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26 2026-02-10T11:40:45,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9 2026-02-10T11:40:45,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9 2026-02-10T11:40:46,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3 2026-02-10T11:40:46,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3 2026-02-10T11:40:46,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4 2026-02-10T11:40:46,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4 2026-02-10T11:40:46,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20 2026-02-10T11:40:46,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20 2026-02-10T11:40:46,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27 2026-02-10T11:40:46,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27 2026-02-10T11:40:46,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6 2026-02-10T11:40:46,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6 2026-02-10T11:40:46,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26 2026-02-10T11:40:46,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26 2026-02-10T11:40:46,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30 2026-02-10T11:40:46,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30 2026-02-10T11:40:46,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10 2026-02-10T11:40:46,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10 2026-02-10T11:40:46,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20 2026-02-10T11:40:46,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20 2026-02-10T11:40:46,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11 2026-02-10T11:40:46,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11 2026-02-10T11:40:46,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7 2026-02-10T11:40:46,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7 2026-02-10T11:40:46,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34 2026-02-10T11:40:46,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34 2026-02-10T11:40:46,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7 2026-02-10T11:40:46,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7 2026-02-10T11:40:46,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32 2026-02-10T11:40:46,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32 2026-02-10T11:40:46,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30 2026-02-10T11:40:46,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30 2026-02-10T11:40:46,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1 2026-02-10T11:40:46,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1 2026-02-10T11:40:46,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12 2026-02-10T11:40:46,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12 2026-02-10T11:40:46,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4 2026-02-10T11:40:46,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4 2026-02-10T11:40:46,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15 2026-02-10T11:40:46,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15 2026-02-10T11:40:46,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15 2026-02-10T11:40:46,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15 2026-02-10T11:40:46,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2 2026-02-10T11:40:46,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2 2026-02-10T11:40:46,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22 2026-02-10T11:40:46,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22 2026-02-10T11:40:46,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23 2026-02-10T11:40:46,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23 2026-02-10T11:40:46,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24 2026-02-10T11:40:46,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24 2026-02-10T11:40:46,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16 2026-02-10T11:40:46,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16 2026-02-10T11:40:46,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34 2026-02-10T11:40:46,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34 2026-02-10T11:40:46,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10 2026-02-10T11:40:46,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10 2026-02-10T11:40:46,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17 2026-02-10T11:40:46,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17 2026-02-10T11:40:46,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17 2026-02-10T11:40:46,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17 2026-02-10T11:40:46,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3 2026-02-10T11:40:46,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3 2026-02-10T11:40:46,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21 2026-02-10T11:40:46,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21 2026-02-10T11:40:46,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27 2026-02-10T11:40:46,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27 2026-02-10T11:40:46,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13 2026-02-10T11:40:46,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13 2026-02-10T11:40:46,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5 2026-02-10T11:40:46,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5 2026-02-10T11:40:46,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31 2026-02-10T11:40:46,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31 2026-02-10T11:40:46,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8 2026-02-10T11:40:46,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8 2026-02-10T11:40:46,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29 2026-02-10T11:40:46,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29 2026-02-10T11:40:46,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1 2026-02-10T11:40:46,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1 2026-02-10T11:40:46,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14 2026-02-10T11:40:46,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14 2026-02-10T11:40:46,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33 2026-02-10T11:40:46,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33 2026-02-10T11:40:46,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31 2026-02-10T11:40:46,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31 2026-02-10T11:40:46,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33 2026-02-10T11:40:46,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33 2026-02-10T11:40:46,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16 2026-02-10T11:40:46,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16 2026-02-10T11:40:46,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9 2026-02-10T11:40:46,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9 2026-02-10T11:40:46,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11 2026-02-10T11:40:46,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11 2026-02-10T11:40:46,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14 2026-02-10T11:40:46,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14 2026-02-10T11:40:46,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12 2026-02-10T11:40:46,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12 2026-02-10T11:40:46,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8 2026-02-10T11:40:46,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8 2026-02-10T11:40:46,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29 2026-02-10T11:40:46,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29 2026-02-10T11:40:46,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25 2026-02-10T11:40:46,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25 2026-02-10T11:40:46,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13 2026-02-10T11:40:46,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13 2026-02-10T11:40:46,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28 2026-02-10T11:40:46,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28 2026-02-10T11:40:46,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18 2026-02-10T11:40:46,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18 2026-02-10T11:40:46,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18 2026-02-10T11:40:46,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18 2026-02-10T11:40:46,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32 2026-02-10T11:40:46,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32 2026-02-10T11:40:46,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28 2026-02-10T11:40:46,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28 2026-02-10T11:40:46,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2 2026-02-10T11:40:46,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2 2026-02-10T11:40:46,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3 2026-02-10T11:40:46,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3 2026-02-10T11:40:46,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4 2026-02-10T11:40:46,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4 2026-02-10T11:40:46,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2 2026-02-10T11:40:46,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2 2026-02-10T11:40:46,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6 2026-02-10T11:40:46,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6 2026-02-10T11:40:46,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7 2026-02-10T11:40:46,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7 2026-02-10T11:40:46,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5 2026-02-10T11:40:46,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5 2026-02-10T11:40:46,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6 2026-02-10T11:40:46,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6 2026-02-10T11:40:46,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5 2026-02-10T11:40:46,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5 2026-02-10T11:40:46,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3 2026-02-10T11:40:46,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3 2026-02-10T11:40:46,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4 2026-02-10T11:40:46,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4 2026-02-10T11:40:46,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7 2026-02-10T11:40:46,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7 2026-02-10T11:40:46,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:40:46,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:40:46,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:40:46,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:40:46,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:40:46,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:40:46,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:40:46,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:40:46,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:40:46,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:40:46,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:40:46,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:40:46,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:40:46,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:40:46,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:40:46,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:40:46,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:40:46,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:40:46,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:40:46,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:40:46,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:40:46,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:40:46,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:40:46,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:40:46,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:40:46,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:40:46,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:40:46,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:40:46,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:40:46,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:40:46,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:40:46,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:40:46,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:40:46,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:40:46,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:40:46,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:40:46,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:40:46,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:40:46,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:40:46,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:40:46,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:40:46,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:40:46,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:40:46,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:40:46,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:40:46,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:40:46,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:40:46,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:40:46,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:40:46,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:40:46,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:40:46,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:40:46,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:40:46,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:40:46,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:40:46,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:40:46,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:40:46,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:40:46,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:40:46,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:40:46,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:40:46,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:40:46,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:40:46,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:40:46,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:40:46,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:40:46,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:40:46,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:40:46,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:40:46,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:40:46,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:40:46,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:40:46,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:40:46,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:40:46,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:40:46,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:40:46,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:40:46,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:40:46,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:40:46,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:40:46,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:40:46,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:40:46,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:40:46,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:40:46,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:40:46,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:40:46,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:40:46,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:40:46,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:40:46,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:40:46,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:40:46,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:40:46,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:40:46,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:40:46,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:40:46,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:40:46,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:40:46,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:40:46,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:40:46,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:40:46,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:40:46,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:40:46,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:40:46,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:40:46,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:40:46,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:40:46,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:40:46,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:40:46,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:40:46,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:40:46,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:40:46,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:40:46,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:40:46,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:40:46,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:40:46,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:40:46,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:40:46,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:40:46,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:40:46,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:40:46,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:40:46,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:40:46,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:40:46,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:40:46,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:40:46,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:40:46,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:40:46,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:40:46,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:40:46,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:40:46,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:40:46,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:40:46,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:40:46,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:40:46,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:40:46,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:40:46,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:40:46,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:40:46,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:40:46,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:40:46,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:40:46,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:40:46,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:40:46,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:40:46,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:40:46,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:40:46,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:40:46,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:40:46,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:40:46,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:40:46,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:40:46,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:40:46,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:40:46,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:40:46,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:40:46,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:40:46,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:40:46,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:40:46,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:40:46,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:40:46,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:40:46,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:40:46,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:40:46,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:40:46,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:40:46,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:40:46,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:40:46,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:40:46,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:40:46,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:40:46,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:40:46,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:40:46,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:40:46,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:40:46,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:40:46,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:40:46,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:40:46,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:40:46,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:40:46,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:40:46,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:40:46,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:40:46,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:40:46,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:40:46,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:40:46,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:40:46,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:40:46,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:40:46,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:40:46,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:40:46,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:40:46,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:40:46,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:40:46,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:40:46,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:40:46,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:40:46,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:40:46,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:40:46,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:40:46,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:40:46,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3 2026-02-10T11:40:46,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3 2026-02-10T11:40:46,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4 2026-02-10T11:40:46,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4 2026-02-10T11:40:46,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:40:46,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:40:46,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6 2026-02-10T11:40:46,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6 2026-02-10T11:40:46,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3 2026-02-10T11:40:46,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3 2026-02-10T11:40:46,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6 2026-02-10T11:40:46,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6 2026-02-10T11:40:46,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3 2026-02-10T11:40:46,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3 2026-02-10T11:40:46,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5 2026-02-10T11:40:46,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5 2026-02-10T11:40:46,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6 2026-02-10T11:40:46,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6 2026-02-10T11:40:46,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2 2026-02-10T11:40:46,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2 2026-02-10T11:40:46,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3 2026-02-10T11:40:46,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3 2026-02-10T11:40:46,659 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2 2026-02-10T11:40:46,661 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2 2026-02-10T11:40:46,663 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr 2026-02-10T11:40:46,664 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr 2026-02-10T11:40:46,667 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr 2026-02-10T11:40:46,668 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr 2026-02-10T11:40:46,670 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2 2026-02-10T11:40:46,671 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2 2026-02-10T11:40:46,673 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe 2026-02-10T11:40:46,674 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe 2026-02-10T11:40:46,676 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3 2026-02-10T11:40:46,677 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3 2026-02-10T11:40:46,679 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2 2026-02-10T11:40:46,680 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2 2026-02-10T11:40:46,683 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:40:46,684 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:40:46,686 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6 2026-02-10T11:40:46,687 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6 2026-02-10T11:40:46,689 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe 2026-02-10T11:40:46,690 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe 2026-02-10T11:40:46,693 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3 2026-02-10T11:40:46,694 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3 2026-02-10T11:40:46,696 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf 2026-02-10T11:40:46,697 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf 2026-02-10T11:40:46,699 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6 2026-02-10T11:40:46,700 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6 2026-02-10T11:40:46,702 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr 2026-02-10T11:40:46,703 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr 2026-02-10T11:40:46,705 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr 2026-02-10T11:40:46,706 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr 2026-02-10T11:40:46,709 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne 2026-02-10T11:40:46,709 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne 2026-02-10T11:40:46,711 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:40:46,712 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:40:46,714 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3 2026-02-10T11:40:46,715 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3 2026-02-10T11:40:46,718 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz 2026-02-10T11:40:46,718 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz 2026-02-10T11:40:46,721 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4 2026-02-10T11:40:46,722 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4 2026-02-10T11:40:46,724 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar 2026-02-10T11:40:46,725 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar 2026-02-10T11:40:46,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:40:46,728 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:40:46,730 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2 2026-02-10T11:40:46,731 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2 2026-02-10T11:40:46,733 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4 2026-02-10T11:40:46,734 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4 2026-02-10T11:40:46,737 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:40:46,738 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:40:46,740 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1 2026-02-10T11:40:46,742 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1 2026-02-10T11:40:46,744 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:40:46,745 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:40:46,748 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2 2026-02-10T11:40:46,749 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2 2026-02-10T11:40:46,751 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:40:46,752 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:40:46,755 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:40:46,756 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:40:46,758 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8 2026-02-10T11:40:46,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8 2026-02-10T11:40:46,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9 2026-02-10T11:40:46,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9 2026-02-10T11:40:46,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1 2026-02-10T11:40:46,765 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1 2026-02-10T11:40:46,768 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2 2026-02-10T11:40:46,769 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2 2026-02-10T11:40:46,771 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:40:46,772 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:40:46,775 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7 2026-02-10T11:40:46,776 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7 2026-02-10T11:40:46,778 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5 2026-02-10T11:40:46,779 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5 2026-02-10T11:40:46,781 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:40:46,782 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:40:46,785 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5 2026-02-10T11:40:46,786 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5 2026-02-10T11:40:46,788 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4 2026-02-10T11:40:46,789 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4 2026-02-10T11:40:46,791 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o 2026-02-10T11:40:46,792 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o 2026-02-10T11:40:46,794 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:40:46,795 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:40:46,798 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9 2026-02-10T11:40:46,799 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9 2026-02-10T11:40:46,801 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3 2026-02-10T11:40:46,802 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3 2026-02-10T11:40:46,804 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3 2026-02-10T11:40:46,805 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3 2026-02-10T11:40:46,808 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:40:46,809 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:40:46,811 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4 2026-02-10T11:40:46,812 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4 2026-02-10T11:40:46,814 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:40:46,815 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:40:46,817 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8 2026-02-10T11:40:46,818 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8 2026-02-10T11:40:46,820 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6 2026-02-10T11:40:46,821 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6 2026-02-10T11:40:46,823 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7 2026-02-10T11:40:46,824 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7 2026-02-10T11:40:46,826 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6 2026-02-10T11:40:46,827 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6 2026-02-10T11:40:46,830 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:40:46,831 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:40:46,833 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1 2026-02-10T11:40:46,835 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1 2026-02-10T11:40:46,837 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A 2026-02-10T11:40:46,838 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A 2026-02-10T11:40:46,841 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B 2026-02-10T11:40:46,842 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B 2026-02-10T11:40:46,844 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A 2026-02-10T11:40:46,845 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A 2026-02-10T11:40:46,848 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B 2026-02-10T11:40:46,849 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B 2026-02-10T11:40:46,851 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B 2026-02-10T11:40:46,852 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B 2026-02-10T11:40:46,854 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4 2026-02-10T11:40:46,855 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4 2026-02-10T11:40:46,858 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A 2026-02-10T11:40:46,859 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A 2026-02-10T11:40:46,862 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A 2026-02-10T11:40:46,863 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A 2026-02-10T11:40:46,865 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12 2026-02-10T11:40:46,867 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12 2026-02-10T11:40:46,869 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A 2026-02-10T11:40:46,871 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A 2026-02-10T11:40:46,873 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18 2026-02-10T11:40:46,874 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18 2026-02-10T11:40:46,876 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A 2026-02-10T11:40:46,877 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A 2026-02-10T11:40:46,879 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13 2026-02-10T11:40:46,880 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13 2026-02-10T11:40:46,883 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A 2026-02-10T11:40:46,884 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A 2026-02-10T11:40:46,886 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B 2026-02-10T11:40:46,887 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B 2026-02-10T11:40:46,889 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A 2026-02-10T11:40:46,890 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A 2026-02-10T11:40:46,892 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A 2026-02-10T11:40:46,893 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A 2026-02-10T11:40:46,895 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B 2026-02-10T11:40:46,896 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B 2026-02-10T11:40:46,898 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A 2026-02-10T11:40:46,899 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A 2026-02-10T11:40:46,902 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A 2026-02-10T11:40:46,903 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A 2026-02-10T11:40:46,906 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20 2026-02-10T11:40:46,907 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20 2026-02-10T11:40:46,909 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3 2026-02-10T11:40:46,910 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3 2026-02-10T11:40:46,913 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A 2026-02-10T11:40:46,914 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A 2026-02-10T11:40:46,916 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B 2026-02-10T11:40:46,917 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B 2026-02-10T11:40:46,920 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A 2026-02-10T11:40:46,921 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A 2026-02-10T11:40:46,923 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B 2026-02-10T11:40:46,924 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B 2026-02-10T11:40:46,927 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A 2026-02-10T11:40:46,928 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A 2026-02-10T11:40:46,930 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B 2026-02-10T11:40:46,931 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B 2026-02-10T11:40:46,933 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16 2026-02-10T11:40:46,934 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16 2026-02-10T11:40:46,936 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B 2026-02-10T11:40:46,937 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B 2026-02-10T11:40:46,939 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B 2026-02-10T11:40:46,940 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B 2026-02-10T11:40:46,942 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A 2026-02-10T11:40:46,944 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A 2026-02-10T11:40:46,946 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B 2026-02-10T11:40:46,947 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B 2026-02-10T11:40:46,950 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A 2026-02-10T11:40:46,951 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A 2026-02-10T11:40:46,953 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B 2026-02-10T11:40:46,954 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B 2026-02-10T11:40:46,957 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B 2026-02-10T11:40:46,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B 2026-02-10T11:40:46,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9 2026-02-10T11:40:46,961 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9 2026-02-10T11:40:46,963 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A 2026-02-10T11:40:46,965 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A 2026-02-10T11:40:46,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A 2026-02-10T11:40:46,968 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A 2026-02-10T11:40:46,970 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A 2026-02-10T11:40:46,971 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A 2026-02-10T11:40:46,973 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7 2026-02-10T11:40:46,974 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7 2026-02-10T11:40:46,976 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10 2026-02-10T11:40:46,977 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10 2026-02-10T11:40:46,980 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B 2026-02-10T11:40:46,981 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B 2026-02-10T11:40:46,983 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6 2026-02-10T11:40:46,984 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6 2026-02-10T11:40:46,986 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B 2026-02-10T11:40:46,987 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B 2026-02-10T11:40:46,990 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A 2026-02-10T11:40:46,991 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A 2026-02-10T11:40:46,993 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A 2026-02-10T11:40:46,994 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A 2026-02-10T11:40:46,996 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B 2026-02-10T11:40:46,997 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B 2026-02-10T11:40:46,999 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B 2026-02-10T11:40:47,000 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B 2026-02-10T11:40:47,002 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B 2026-02-10T11:40:47,003 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B 2026-02-10T11:40:47,005 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11 2026-02-10T11:40:47,006 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11 2026-02-10T11:40:47,008 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B 2026-02-10T11:40:47,009 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B 2026-02-10T11:40:47,011 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5 2026-02-10T11:40:47,012 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5 2026-02-10T11:40:47,014 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15 2026-02-10T11:40:47,016 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15 2026-02-10T11:40:47,018 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B 2026-02-10T11:40:47,019 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B 2026-02-10T11:40:47,021 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17 2026-02-10T11:40:47,022 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17 2026-02-10T11:40:47,024 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21 2026-02-10T11:40:47,025 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21 2026-02-10T11:40:47,028 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B 2026-02-10T11:40:47,029 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B 2026-02-10T11:40:47,031 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2 2026-02-10T11:40:47,032 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2 2026-02-10T11:40:47,034 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14 2026-02-10T11:40:47,035 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14 2026-02-10T11:40:47,038 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19 2026-02-10T11:40:47,039 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19 2026-02-10T11:40:47,041 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8 2026-02-10T11:40:47,042 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8 2026-02-10T11:40:47,044 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts 2026-02-10T11:40:47,046 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts 2026-02-10T11:40:47,048 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1 2026-02-10T11:40:47,049 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1 2026-02-10T11:40:47,051 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6 2026-02-10T11:40:47,052 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6 2026-02-10T11:40:47,054 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:40:47,055 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:40:47,057 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts 2026-02-10T11:40:47,058 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts 2026-02-10T11:40:47,060 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6 2026-02-10T11:40:47,061 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6 2026-02-10T11:40:47,063 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r 2026-02-10T11:40:47,064 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r 2026-02-10T11:40:47,067 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:40:47,068 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:40:47,070 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:40:47,071 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:40:47,073 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:40:47,074 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:40:47,076 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:40:47,077 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:40:47,079 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7 2026-02-10T11:40:47,080 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7 2026-02-10T11:40:47,082 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:40:47,083 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:40:47,086 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r 2026-02-10T11:40:47,087 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r 2026-02-10T11:40:47,089 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5 2026-02-10T11:40:47,090 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5 2026-02-10T11:40:47,093 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r 2026-02-10T11:40:47,094 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r 2026-02-10T11:40:47,096 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3 2026-02-10T11:40:47,097 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3 2026-02-10T11:40:47,100 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:40:47,101 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:40:47,103 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:40:47,105 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 2026-02-10T11:40:47,107 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:40:47,108 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:40:47,111 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts 2026-02-10T11:40:47,113 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts 2026-02-10T11:40:47,116 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:40:47,117 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:40:47,120 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts 2026-02-10T11:40:47,121 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts 2026-02-10T11:40:47,124 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5 2026-02-10T11:40:47,125 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5 2026-02-10T11:40:47,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2 2026-02-10T11:40:47,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2 2026-02-10T11:40:47,131 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:40:47,132 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:40:47,134 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3 2026-02-10T11:40:47,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3 2026-02-10T11:40:47,137 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11 2026-02-10T11:40:47,138 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11 2026-02-10T11:40:47,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:40:47,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:40:47,144 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts 2026-02-10T11:40:47,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts 2026-02-10T11:40:47,147 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts 2026-02-10T11:40:47,148 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts 2026-02-10T11:40:47,150 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:40:47,151 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:40:47,153 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:40:47,154 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:40:47,156 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:40:47,157 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:40:47,160 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts 2026-02-10T11:40:47,161 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts 2026-02-10T11:40:47,163 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r 2026-02-10T11:40:47,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r 2026-02-10T11:40:47,166 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:40:47,167 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:40:47,169 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r 2026-02-10T11:40:47,170 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r 2026-02-10T11:40:47,172 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:40:47,173 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:40:47,176 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts 2026-02-10T11:40:47,177 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts 2026-02-10T11:40:47,180 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4 2026-02-10T11:40:47,181 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4 2026-02-10T11:40:47,183 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8 2026-02-10T11:40:47,185 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8 2026-02-10T11:40:47,187 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:40:47,188 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 2026-02-10T11:40:47,190 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:40:47,191 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:40:47,194 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4 2026-02-10T11:40:47,195 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4 2026-02-10T11:40:47,197 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9 2026-02-10T11:40:47,198 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9 2026-02-10T11:40:47,200 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r 2026-02-10T11:40:47,201 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r 2026-02-10T11:40:47,203 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:40:47,204 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:40:47,207 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts 2026-02-10T11:40:47,208 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts 2026-02-10T11:40:47,210 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7 2026-02-10T11:40:47,212 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7 2026-02-10T11:40:47,214 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:40:47,215 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:40:47,218 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8 2026-02-10T11:40:47,219 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8 2026-02-10T11:40:47,221 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:40:47,222 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:40:47,224 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10 2026-02-10T11:40:47,225 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10 2026-02-10T11:40:47,227 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:40:47,228 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:40:47,231 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r 2026-02-10T11:40:47,231 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r 2026-02-10T11:40:47,234 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r 2026-02-10T11:40:47,235 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r 2026-02-10T11:40:47,237 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9 2026-02-10T11:40:47,238 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9 2026-02-10T11:40:47,240 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:40:47,241 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:40:47,243 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1 2026-02-10T11:40:47,244 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1 2026-02-10T11:40:47,246 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2 2026-02-10T11:40:47,247 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2 2026-02-10T11:40:47,249 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13 2026-02-10T11:40:47,251 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13 2026-02-10T11:40:47,254 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15 2026-02-10T11:40:47,255 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15 2026-02-10T11:40:47,257 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8 2026-02-10T11:40:47,258 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8 2026-02-10T11:40:47,260 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2 2026-02-10T11:40:47,261 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2 2026-02-10T11:40:47,263 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1 2026-02-10T11:40:47,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1 2026-02-10T11:40:47,267 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11 2026-02-10T11:40:47,268 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11 2026-02-10T11:40:47,270 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4 2026-02-10T11:40:47,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4 2026-02-10T11:40:47,273 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7 2026-02-10T11:40:47,274 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7 2026-02-10T11:40:47,277 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3 2026-02-10T11:40:47,278 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3 2026-02-10T11:40:47,280 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12 2026-02-10T11:40:47,281 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12 2026-02-10T11:40:47,283 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4 2026-02-10T11:40:47,284 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4 2026-02-10T11:40:47,286 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5 2026-02-10T11:40:47,287 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5 2026-02-10T11:40:47,289 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6 2026-02-10T11:40:47,290 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6 2026-02-10T11:40:47,292 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1 2026-02-10T11:40:47,293 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1 2026-02-10T11:40:47,295 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10 2026-02-10T11:40:47,296 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10 2026-02-10T11:40:47,299 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3 2026-02-10T11:40:47,300 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3 2026-02-10T11:40:47,302 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14 2026-02-10T11:40:47,303 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14 2026-02-10T11:40:47,305 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2 2026-02-10T11:40:47,306 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2 2026-02-10T11:40:47,308 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9 2026-02-10T11:40:47,309 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9 2026-02-10T11:40:47,311 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1 2026-02-10T11:40:47,313 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1 2026-02-10T11:40:47,315 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36 2026-02-10T11:40:47,316 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36 2026-02-10T11:40:47,318 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4 2026-02-10T11:40:47,319 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4 2026-02-10T11:40:47,321 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12 2026-02-10T11:40:47,323 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12 2026-02-10T11:40:47,325 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27 2026-02-10T11:40:47,326 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27 2026-02-10T11:40:47,328 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18 2026-02-10T11:40:47,329 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18 2026-02-10T11:40:47,332 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34 2026-02-10T11:40:47,333 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34 2026-02-10T11:40:47,335 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13 2026-02-10T11:40:47,336 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13 2026-02-10T11:40:47,339 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48 2026-02-10T11:40:47,340 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48 2026-02-10T11:40:47,342 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45 2026-02-10T11:40:47,343 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45 2026-02-10T11:40:47,345 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46 2026-02-10T11:40:47,346 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46 2026-02-10T11:40:47,349 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38 2026-02-10T11:40:47,350 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38 2026-02-10T11:40:47,352 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49 2026-02-10T11:40:47,353 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49 2026-02-10T11:40:47,356 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20 2026-02-10T11:40:47,357 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20 2026-02-10T11:40:47,359 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3 2026-02-10T11:40:47,361 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3 2026-02-10T11:40:47,363 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41 2026-02-10T11:40:47,364 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41 2026-02-10T11:40:47,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16 2026-02-10T11:40:47,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16 2026-02-10T11:40:47,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44 2026-02-10T11:40:47,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44 2026-02-10T11:40:47,373 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25 2026-02-10T11:40:47,374 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25 2026-02-10T11:40:47,376 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30 2026-02-10T11:40:47,377 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30 2026-02-10T11:40:47,379 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9 2026-02-10T11:40:47,380 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9 2026-02-10T11:40:47,383 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43 2026-02-10T11:40:47,384 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43 2026-02-10T11:40:47,386 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37 2026-02-10T11:40:47,387 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37 2026-02-10T11:40:47,390 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22 2026-02-10T11:40:47,391 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22 2026-02-10T11:40:47,393 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7 2026-02-10T11:40:47,394 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7 2026-02-10T11:40:47,396 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23 2026-02-10T11:40:47,397 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23 2026-02-10T11:40:47,400 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10 2026-02-10T11:40:47,401 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10 2026-02-10T11:40:47,403 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47 2026-02-10T11:40:47,404 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47 2026-02-10T11:40:47,406 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28 2026-02-10T11:40:47,407 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28 2026-02-10T11:40:47,410 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26 2026-02-10T11:40:47,411 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26 2026-02-10T11:40:47,414 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6 2026-02-10T11:40:47,415 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6 2026-02-10T11:40:47,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40 2026-02-10T11:40:47,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40 2026-02-10T11:40:47,420 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50 2026-02-10T11:40:47,421 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50 2026-02-10T11:40:47,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51 2026-02-10T11:40:47,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51 2026-02-10T11:40:47,428 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11 2026-02-10T11:40:47,429 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11 2026-02-10T11:40:47,431 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32 2026-02-10T11:40:47,432 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32 2026-02-10T11:40:47,434 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5 2026-02-10T11:40:47,436 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5 2026-02-10T11:40:47,438 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24 2026-02-10T11:40:47,439 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24 2026-02-10T11:40:47,442 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15 2026-02-10T11:40:47,443 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15 2026-02-10T11:40:47,445 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17 2026-02-10T11:40:47,446 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17 2026-02-10T11:40:47,448 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21 2026-02-10T11:40:47,449 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21 2026-02-10T11:40:47,452 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52 2026-02-10T11:40:47,453 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52 2026-02-10T11:40:47,455 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42 2026-02-10T11:40:47,456 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42 2026-02-10T11:40:47,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2 2026-02-10T11:40:47,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2 2026-02-10T11:40:47,462 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39 2026-02-10T11:40:47,463 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39 2026-02-10T11:40:47,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35 2026-02-10T11:40:47,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35 2026-02-10T11:40:47,468 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14 2026-02-10T11:40:47,469 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14 2026-02-10T11:40:47,471 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19 2026-02-10T11:40:47,472 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19 2026-02-10T11:40:47,475 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33 2026-02-10T11:40:47,476 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33 2026-02-10T11:40:47,478 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29 2026-02-10T11:40:47,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29 2026-02-10T11:40:47,481 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8 2026-02-10T11:40:47,482 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8 2026-02-10T11:40:47,484 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31 2026-02-10T11:40:47,485 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31 2026-02-10T11:40:47,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A 2026-02-10T11:40:47,489 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A 2026-02-10T11:40:47,491 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A 2026-02-10T11:40:47,492 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A 2026-02-10T11:40:47,494 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27 2026-02-10T11:40:47,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27 2026-02-10T11:40:47,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B 2026-02-10T11:40:47,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B 2026-02-10T11:40:47,500 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A 2026-02-10T11:40:47,501 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A 2026-02-10T11:40:47,503 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B 2026-02-10T11:40:47,504 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B 2026-02-10T11:40:47,507 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A 2026-02-10T11:40:47,508 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A 2026-02-10T11:40:47,510 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25 2026-02-10T11:40:47,511 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25 2026-02-10T11:40:47,513 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22 2026-02-10T11:40:47,514 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22 2026-02-10T11:40:47,516 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23 2026-02-10T11:40:47,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23 2026-02-10T11:40:47,520 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A 2026-02-10T11:40:47,521 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A 2026-02-10T11:40:47,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A 2026-02-10T11:40:47,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A 2026-02-10T11:40:47,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B 2026-02-10T11:40:47,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B 2026-02-10T11:40:47,529 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26 2026-02-10T11:40:47,530 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26 2026-02-10T11:40:47,533 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B 2026-02-10T11:40:47,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B 2026-02-10T11:40:47,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24 2026-02-10T11:40:47,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24 2026-02-10T11:40:47,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B 2026-02-10T11:40:47,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B 2026-02-10T11:40:47,542 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B 2026-02-10T11:40:47,543 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B 2026-02-10T11:40:47,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me 2026-02-10T11:40:47,547 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me 2026-02-10T11:40:47,549 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+ 2026-02-10T11:40:47,550 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+ 2026-02-10T11:40:47,552 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8 2026-02-10T11:40:47,553 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8 2026-02-10T11:40:47,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+ 2026-02-10T11:40:47,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+ 2026-02-10T11:40:47,559 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch 2026-02-10T11:40:47,560 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch 2026-02-10T11:40:47,562 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:40:47,563 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:40:47,565 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c 2026-02-10T11:40:47,566 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c 2026-02-10T11:40:47,568 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:40:47,569 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:40:47,572 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:40:47,573 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:40:47,575 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me 2026-02-10T11:40:47,577 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me 2026-02-10T11:40:47,579 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h 2026-02-10T11:40:47,580 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h 2026-02-10T11:40:47,582 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2 2026-02-10T11:40:47,583 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2 2026-02-10T11:40:47,585 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4 2026-02-10T11:40:47,586 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4 2026-02-10T11:40:47,588 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2 2026-02-10T11:40:47,589 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2 2026-02-10T11:40:47,591 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2 2026-02-10T11:40:47,592 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2 2026-02-10T11:40:47,595 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8 2026-02-10T11:40:47,596 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8 2026-02-10T11:40:47,598 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:40:47,599 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:40:47,601 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1 2026-02-10T11:40:47,602 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1 2026-02-10T11:40:47,605 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4 2026-02-10T11:40:47,606 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4 2026-02-10T11:40:47,608 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3 2026-02-10T11:40:47,609 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3 2026-02-10T11:40:47,611 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9 2026-02-10T11:40:47,612 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9 2026-02-10T11:40:47,615 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7 2026-02-10T11:40:47,616 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7 2026-02-10T11:40:47,618 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10 2026-02-10T11:40:47,619 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10 2026-02-10T11:40:47,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6 2026-02-10T11:40:47,622 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6 2026-02-10T11:40:47,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5 2026-02-10T11:40:47,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5 2026-02-10T11:40:47,628 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2 2026-02-10T11:40:47,629 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2 2026-02-10T11:40:47,631 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8 2026-02-10T11:40:47,632 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8 2026-02-10T11:40:47,635 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts 2026-02-10T11:40:47,636 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts 2026-02-10T11:40:47,639 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20 2026-02-10T11:40:47,640 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20 2026-02-10T11:40:47,642 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8 2026-02-10T11:40:47,643 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8 2026-02-10T11:40:47,645 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh 2026-02-10T11:40:47,646 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh 2026-02-10T11:40:47,648 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc 2026-02-10T11:40:47,649 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc 2026-02-10T11:40:47,651 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh- 2026-02-10T11:40:47,652 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh- 2026-02-10T11:40:47,654 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19 2026-02-10T11:40:47,655 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19 2026-02-10T11:40:47,657 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts 2026-02-10T11:40:47,658 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts 2026-02-10T11:40:47,660 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:40:47,661 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:40:47,663 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf 2026-02-10T11:40:47,664 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf 2026-02-10T11:40:47,666 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co 2026-02-10T11:40:47,667 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co 2026-02-10T11:40:47,669 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots 2026-02-10T11:40:47,670 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots 2026-02-10T11:40:47,672 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:40:47,673 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:40:47,676 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07 2026-02-10T11:40:47,677 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07 2026-02-10T11:40:47,679 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts 2026-02-10T11:40:47,680 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts 2026-02-10T11:40:47,682 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2 2026-02-10T11:40:47,683 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2 2026-02-10T11:40:47,685 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:40:47,686 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:40:47,688 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4 2026-02-10T11:40:47,689 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4 2026-02-10T11:40:47,691 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f- 2026-02-10T11:40:47,693 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f- 2026-02-10T11:40:47,695 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O 2026-02-10T11:40:47,696 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O 2026-02-10T11:40:47,698 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2 2026-02-10T11:40:47,699 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2 2026-02-10T11:40:47,701 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2 2026-02-10T11:40:47,702 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2 2026-02-10T11:40:47,704 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3 2026-02-10T11:40:47,705 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3 2026-02-10T11:40:47,707 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17 2026-02-10T11:40:47,708 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17 2026-02-10T11:40:47,710 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22 2026-02-10T11:40:47,711 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22 2026-02-10T11:40:47,713 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14 2026-02-10T11:40:47,714 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14 2026-02-10T11:40:47,716 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13 2026-02-10T11:40:47,717 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13 2026-02-10T11:40:47,719 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H 2026-02-10T11:40:47,720 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H 2026-02-10T11:40:47,723 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:40:47,724 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:40:47,726 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS 2026-02-10T11:40:47,727 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS 2026-02-10T11:40:47,729 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl- 2026-02-10T11:40:47,730 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl- 2026-02-10T11:40:47,732 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:40:47,733 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:40:47,735 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S 2026-02-10T11:40:47,736 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S 2026-02-10T11:40:47,738 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf 2026-02-10T11:40:47,739 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf 2026-02-10T11:40:47,742 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04 2026-02-10T11:40:47,743 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04 2026-02-10T11:40:47,745 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3 2026-02-10T11:40:47,746 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3 2026-02-10T11:40:47,748 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02 2026-02-10T11:40:47,749 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02 2026-02-10T11:40:47,752 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco 2026-02-10T11:40:47,752 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco 2026-02-10T11:40:47,755 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16 2026-02-10T11:40:47,755 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16 2026-02-10T11:40:47,757 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h 2026-02-10T11:40:47,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h 2026-02-10T11:40:47,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18 2026-02-10T11:40:47,761 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18 2026-02-10T11:40:47,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:40:47,765 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:40:47,767 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6 2026-02-10T11:40:47,768 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6 2026-02-10T11:40:47,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts 2026-02-10T11:40:47,771 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts 2026-02-10T11:40:47,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4 2026-02-10T11:40:47,775 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4 2026-02-10T11:40:47,777 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2 2026-02-10T11:40:47,778 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2 2026-02-10T11:40:47,780 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11 2026-02-10T11:40:47,781 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11 2026-02-10T11:40:47,783 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts 2026-02-10T11:40:47,784 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts 2026-02-10T11:40:47,786 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts 2026-02-10T11:40:47,787 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts 2026-02-10T11:40:47,789 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01 2026-02-10T11:40:47,790 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01 2026-02-10T11:40:47,792 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10 2026-02-10T11:40:47,793 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10 2026-02-10T11:40:47,796 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts 2026-02-10T11:40:47,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts 2026-02-10T11:40:47,799 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH 2026-02-10T11:40:47,800 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH 2026-02-10T11:40:47,802 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts 2026-02-10T11:40:47,803 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts 2026-02-10T11:40:47,805 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2 2026-02-10T11:40:47,806 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2 2026-02-10T11:40:47,808 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5 2026-02-10T11:40:47,809 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5 2026-02-10T11:40:47,812 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12 2026-02-10T11:40:47,813 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12 2026-02-10T11:40:47,815 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06 2026-02-10T11:40:47,816 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06 2026-02-10T11:40:47,818 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh 2026-02-10T11:40:47,819 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh 2026-02-10T11:40:47,821 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15 2026-02-10T11:40:47,822 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15 2026-02-10T11:40:47,824 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7 2026-02-10T11:40:47,825 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7 2026-02-10T11:40:47,827 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O 2026-02-10T11:40:47,828 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O 2026-02-10T11:40:47,830 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08 2026-02-10T11:40:47,831 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08 2026-02-10T11:40:47,833 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts 2026-02-10T11:40:47,834 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts 2026-02-10T11:40:47,838 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05 2026-02-10T11:40:47,839 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05 2026-02-10T11:40:47,841 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts 2026-02-10T11:40:47,842 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts 2026-02-10T11:40:47,844 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f 2026-02-10T11:40:47,845 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f 2026-02-10T11:40:47,847 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl 2026-02-10T11:40:47,848 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl 2026-02-10T11:40:47,850 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2 2026-02-10T11:40:47,851 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2 2026-02-10T11:40:47,853 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts 2026-02-10T11:40:47,854 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts 2026-02-10T11:40:47,856 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts 2026-02-10T11:40:47,857 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts 2026-02-10T11:40:47,859 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03 2026-02-10T11:40:47,860 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03 2026-02-10T11:40:47,863 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts 2026-02-10T11:40:47,863 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts 2026-02-10T11:40:47,866 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts 2026-02-10T11:40:47,866 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts 2026-02-10T11:40:47,869 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts 2026-02-10T11:40:47,870 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts 2026-02-10T11:40:47,872 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2 2026-02-10T11:40:47,873 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2 2026-02-10T11:40:47,875 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o 2026-02-10T11:40:47,876 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o 2026-02-10T11:40:47,878 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl 2026-02-10T11:40:47,879 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl 2026-02-10T11:40:47,881 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f 2026-02-10T11:40:47,882 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f 2026-02-10T11:40:47,884 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3 2026-02-10T11:40:47,885 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3 2026-02-10T11:40:47,887 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21 2026-02-10T11:40:47,888 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21 2026-02-10T11:40:47,890 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn 2026-02-10T11:40:47,891 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn 2026-02-10T11:40:47,893 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl 2026-02-10T11:40:47,894 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl 2026-02-10T11:40:47,896 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5 2026-02-10T11:40:47,897 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5 2026-02-10T11:40:47,899 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH 2026-02-10T11:40:47,900 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH 2026-02-10T11:40:47,903 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09 2026-02-10T11:40:47,903 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09 2026-02-10T11:40:47,906 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL 2026-02-10T11:40:47,907 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL 2026-02-10T11:40:47,909 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:40:47,910 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:40:47,913 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:40:47,914 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:40:47,916 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N 2026-02-10T11:40:47,917 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N 2026-02-10T11:40:47,920 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:40:47,921 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:40:47,923 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:40:47,924 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:40:47,926 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:40:47,927 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:40:47,929 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:40:47,930 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:40:47,932 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:40:47,933 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:40:47,935 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:40:47,936 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:40:47,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:40:47,939 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:40:47,941 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:40:47,942 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:40:47,944 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O 2026-02-10T11:40:47,945 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O 2026-02-10T11:40:47,947 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:40:47,948 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:40:47,951 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N 2026-02-10T11:40:47,952 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N 2026-02-10T11:40:47,954 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N 2026-02-10T11:40:47,955 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N 2026-02-10T11:40:47,957 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:40:47,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:40:47,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:40:47,961 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:40:47,963 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL 2026-02-10T11:40:47,964 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL 2026-02-10T11:40:47,966 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:40:47,967 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:40:47,969 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:40:47,970 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:40:47,973 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:40:47,973 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:40:47,976 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:40:47,977 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:40:47,979 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:40:47,980 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:40:47,982 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL 2026-02-10T11:40:47,983 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL 2026-02-10T11:40:47,985 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:40:47,986 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:40:47,988 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O 2026-02-10T11:40:47,989 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O 2026-02-10T11:40:47,991 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:40:47,992 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:40:47,994 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O 2026-02-10T11:40:47,995 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O 2026-02-10T11:40:47,997 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:40:47,998 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:40:48,000 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:40:48,001 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:40:48,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:40:48,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:40:48,006 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:40:48,007 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:40:48,009 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL 2026-02-10T11:40:48,010 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL 2026-02-10T11:40:48,012 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N 2026-02-10T11:40:48,013 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N 2026-02-10T11:40:48,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O 2026-02-10T11:40:48,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O 2026-02-10T11:40:48,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37 2026-02-10T11:40:48,021 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37 2026-02-10T11:40:48,023 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41 2026-02-10T11:40:48,024 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41 2026-02-10T11:40:48,027 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25 2026-02-10T11:40:48,028 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25 2026-02-10T11:40:48,030 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39 2026-02-10T11:40:48,031 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39 2026-02-10T11:40:48,033 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45 2026-02-10T11:40:48,034 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45 2026-02-10T11:40:48,037 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24 2026-02-10T11:40:48,038 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24 2026-02-10T11:40:48,040 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23 2026-02-10T11:40:48,041 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23 2026-02-10T11:40:48,043 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19 2026-02-10T11:40:48,044 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19 2026-02-10T11:40:48,046 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21 2026-02-10T11:40:48,047 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21 2026-02-10T11:40:48,049 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45 2026-02-10T11:40:48,050 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45 2026-02-10T11:40:48,052 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26 2026-02-10T11:40:48,053 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26 2026-02-10T11:40:48,055 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40 2026-02-10T11:40:48,056 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40 2026-02-10T11:40:48,058 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44 2026-02-10T11:40:48,059 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44 2026-02-10T11:40:48,061 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37 2026-02-10T11:40:48,062 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37 2026-02-10T11:40:48,064 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9 2026-02-10T11:40:48,065 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9 2026-02-10T11:40:48,067 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3 2026-02-10T11:40:48,068 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3 2026-02-10T11:40:48,071 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6 2026-02-10T11:40:48,072 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6 2026-02-10T11:40:48,074 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4 2026-02-10T11:40:48,076 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4 2026-02-10T11:40:48,078 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20 2026-02-10T11:40:48,079 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20 2026-02-10T11:40:48,081 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27 2026-02-10T11:40:48,082 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27 2026-02-10T11:40:48,085 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43 2026-02-10T11:40:48,086 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43 2026-02-10T11:40:48,088 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6 2026-02-10T11:40:48,089 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6 2026-02-10T11:40:48,091 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36 2026-02-10T11:40:48,092 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36 2026-02-10T11:40:48,094 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26 2026-02-10T11:40:48,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26 2026-02-10T11:40:48,097 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36 2026-02-10T11:40:48,098 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36 2026-02-10T11:40:48,100 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30 2026-02-10T11:40:48,101 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30 2026-02-10T11:40:48,103 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22 2026-02-10T11:40:48,104 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22 2026-02-10T11:40:48,106 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10 2026-02-10T11:40:48,107 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10 2026-02-10T11:40:48,109 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20 2026-02-10T11:40:48,110 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20 2026-02-10T11:40:48,112 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11 2026-02-10T11:40:48,113 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11 2026-02-10T11:40:48,116 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7 2026-02-10T11:40:48,117 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7 2026-02-10T11:40:48,119 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34 2026-02-10T11:40:48,120 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34 2026-02-10T11:40:48,122 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7 2026-02-10T11:40:48,123 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7 2026-02-10T11:40:48,126 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32 2026-02-10T11:40:48,127 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32 2026-02-10T11:40:48,129 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30 2026-02-10T11:40:48,130 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30 2026-02-10T11:40:48,132 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44 2026-02-10T11:40:48,133 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44 2026-02-10T11:40:48,135 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42 2026-02-10T11:40:48,136 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42 2026-02-10T11:40:48,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1 2026-02-10T11:40:48,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1 2026-02-10T11:40:48,142 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12 2026-02-10T11:40:48,143 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12 2026-02-10T11:40:48,145 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4 2026-02-10T11:40:48,146 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4 2026-02-10T11:40:48,148 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43 2026-02-10T11:40:48,149 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43 2026-02-10T11:40:48,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15 2026-02-10T11:40:48,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15 2026-02-10T11:40:48,154 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15 2026-02-10T11:40:48,155 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15 2026-02-10T11:40:48,157 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2 2026-02-10T11:40:48,158 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2 2026-02-10T11:40:48,160 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22 2026-02-10T11:40:48,161 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22 2026-02-10T11:40:48,163 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23 2026-02-10T11:40:48,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23 2026-02-10T11:40:48,166 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38 2026-02-10T11:40:48,167 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38 2026-02-10T11:40:48,170 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24 2026-02-10T11:40:48,171 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24 2026-02-10T11:40:48,173 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16 2026-02-10T11:40:48,174 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16 2026-02-10T11:40:48,176 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34 2026-02-10T11:40:48,177 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34 2026-02-10T11:40:48,179 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10 2026-02-10T11:40:48,180 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10 2026-02-10T11:40:48,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17 2026-02-10T11:40:48,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17 2026-02-10T11:40:48,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17 2026-02-10T11:40:48,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17 2026-02-10T11:40:48,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3 2026-02-10T11:40:48,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3 2026-02-10T11:40:48,192 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35 2026-02-10T11:40:48,193 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35 2026-02-10T11:40:48,196 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21 2026-02-10T11:40:48,197 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21 2026-02-10T11:40:48,199 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27 2026-02-10T11:40:48,200 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27 2026-02-10T11:40:48,203 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13 2026-02-10T11:40:48,203 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13 2026-02-10T11:40:48,206 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5 2026-02-10T11:40:48,206 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5 2026-02-10T11:40:48,209 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31 2026-02-10T11:40:48,209 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31 2026-02-10T11:40:48,212 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35 2026-02-10T11:40:48,213 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35 2026-02-10T11:40:48,215 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8 2026-02-10T11:40:48,216 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8 2026-02-10T11:40:48,218 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29 2026-02-10T11:40:48,219 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29 2026-02-10T11:40:48,221 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1 2026-02-10T11:40:48,222 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1 2026-02-10T11:40:48,224 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2 2026-02-10T11:40:48,225 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2 2026-02-10T11:40:48,227 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42 2026-02-10T11:40:48,228 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42 2026-02-10T11:40:48,230 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5 2026-02-10T11:40:48,231 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5 2026-02-10T11:40:48,233 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33 2026-02-10T11:40:48,235 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33 2026-02-10T11:40:48,237 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38 2026-02-10T11:40:48,238 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38 2026-02-10T11:40:48,240 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31 2026-02-10T11:40:48,241 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31 2026-02-10T11:40:48,243 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33 2026-02-10T11:40:48,244 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33 2026-02-10T11:40:48,246 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16 2026-02-10T11:40:48,247 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16 2026-02-10T11:40:48,249 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9 2026-02-10T11:40:48,251 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9 2026-02-10T11:40:48,253 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11 2026-02-10T11:40:48,254 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11 2026-02-10T11:40:48,256 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12 2026-02-10T11:40:48,258 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12 2026-02-10T11:40:48,260 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8 2026-02-10T11:40:48,261 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8 2026-02-10T11:40:48,263 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29 2026-02-10T11:40:48,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29 2026-02-10T11:40:48,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25 2026-02-10T11:40:48,267 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25 2026-02-10T11:40:48,269 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13 2026-02-10T11:40:48,270 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13 2026-02-10T11:40:48,272 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40 2026-02-10T11:40:48,273 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40 2026-02-10T11:40:48,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28 2026-02-10T11:40:48,276 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28 2026-02-10T11:40:48,278 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18 2026-02-10T11:40:48,279 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18 2026-02-10T11:40:48,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41 2026-02-10T11:40:48,282 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41 2026-02-10T11:40:48,285 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19 2026-02-10T11:40:48,286 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19 2026-02-10T11:40:48,288 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18 2026-02-10T11:40:48,289 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18 2026-02-10T11:40:48,291 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39 2026-02-10T11:40:48,292 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39 2026-02-10T11:40:48,294 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32 2026-02-10T11:40:48,295 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32 2026-02-10T11:40:48,297 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28 2026-02-10T11:40:48,298 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28 2026-02-10T11:40:48,300 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo 2026-02-10T11:40:48,302 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo 2026-02-10T11:40:48,304 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef 2026-02-10T11:40:48,305 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef 2026-02-10T11:40:48,307 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:40:48,308 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:40:48,310 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o 2026-02-10T11:40:48,311 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o 2026-02-10T11:40:48,313 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be 2026-02-10T11:40:48,314 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be 2026-02-10T11:40:48,316 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na 2026-02-10T11:40:48,317 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na 2026-02-10T11:40:48,319 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf 2026-02-10T11:40:48,320 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf 2026-02-10T11:40:48,322 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao 2026-02-10T11:40:48,323 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao 2026-02-10T11:40:48,325 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h 2026-02-10T11:40:48,326 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h 2026-02-10T11:40:48,329 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca 2026-02-10T11:40:48,330 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca 2026-02-10T11:40:48,332 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li 2026-02-10T11:40:48,333 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li 2026-02-10T11:40:48,335 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s 2026-02-10T11:40:48,336 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s 2026-02-10T11:40:48,338 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k 2026-02-10T11:40:48,339 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k 2026-02-10T11:40:48,341 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg 2026-02-10T11:40:48,342 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg 2026-02-10T11:40:48,344 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf 2026-02-10T11:40:48,345 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf 2026-02-10T11:40:48,347 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f 2026-02-10T11:40:48,348 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f 2026-02-10T11:40:48,350 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:40:48,351 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:40:48,353 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao 2026-02-10T11:40:48,354 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao 2026-02-10T11:40:48,356 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio 2026-02-10T11:40:48,357 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio 2026-02-10T11:40:48,359 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif 2026-02-10T11:40:48,360 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif 2026-02-10T11:40:48,362 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1 2026-02-10T11:40:48,364 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1 2026-02-10T11:40:48,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128 2026-02-10T11:40:48,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128 2026-02-10T11:40:48,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18 2026-02-10T11:40:48,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18 2026-02-10T11:40:48,372 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117 2026-02-10T11:40:48,373 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117 2026-02-10T11:40:48,375 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97 2026-02-10T11:40:48,376 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97 2026-02-10T11:40:48,378 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34 2026-02-10T11:40:48,379 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34 2026-02-10T11:40:48,381 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13 2026-02-10T11:40:48,382 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13 2026-02-10T11:40:48,384 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126 2026-02-10T11:40:48,385 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126 2026-02-10T11:40:48,387 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94 2026-02-10T11:40:48,388 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94 2026-02-10T11:40:48,390 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62 2026-02-10T11:40:48,391 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62 2026-02-10T11:40:48,393 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82 2026-02-10T11:40:48,394 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82 2026-02-10T11:40:48,396 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45 2026-02-10T11:40:48,397 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45 2026-02-10T11:40:48,399 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104 2026-02-10T11:40:48,400 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104 2026-02-10T11:40:48,402 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66 2026-02-10T11:40:48,403 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66 2026-02-10T11:40:48,406 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61 2026-02-10T11:40:48,407 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61 2026-02-10T11:40:48,409 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118 2026-02-10T11:40:48,410 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118 2026-02-10T11:40:48,412 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59 2026-02-10T11:40:48,413 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59 2026-02-10T11:40:48,415 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73 2026-02-10T11:40:48,416 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73 2026-02-10T11:40:48,418 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100 2026-02-10T11:40:48,419 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100 2026-02-10T11:40:48,422 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88 2026-02-10T11:40:48,423 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88 2026-02-10T11:40:48,425 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25 2026-02-10T11:40:48,426 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25 2026-02-10T11:40:48,428 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30 2026-02-10T11:40:48,429 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30 2026-02-10T11:40:48,431 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67 2026-02-10T11:40:48,432 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67 2026-02-10T11:40:48,434 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57 2026-02-10T11:40:48,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57 2026-02-10T11:40:48,437 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56 2026-02-10T11:40:48,438 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56 2026-02-10T11:40:48,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22 2026-02-10T11:40:48,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22 2026-02-10T11:40:48,443 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23 2026-02-10T11:40:48,444 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23 2026-02-10T11:40:48,446 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47 2026-02-10T11:40:48,447 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47 2026-02-10T11:40:48,449 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26 2026-02-10T11:40:48,450 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26 2026-02-10T11:40:48,452 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6 2026-02-10T11:40:48,453 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6 2026-02-10T11:40:48,455 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40 2026-02-10T11:40:48,456 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40 2026-02-10T11:40:48,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51 2026-02-10T11:40:48,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51 2026-02-10T11:40:48,462 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11 2026-02-10T11:40:48,463 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11 2026-02-10T11:40:48,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32 2026-02-10T11:40:48,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32 2026-02-10T11:40:48,468 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106 2026-02-10T11:40:48,469 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106 2026-02-10T11:40:48,471 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24 2026-02-10T11:40:48,472 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24 2026-02-10T11:40:48,475 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121 2026-02-10T11:40:48,476 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121 2026-02-10T11:40:48,478 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21 2026-02-10T11:40:48,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21 2026-02-10T11:40:48,481 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60 2026-02-10T11:40:48,482 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60 2026-02-10T11:40:48,484 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52 2026-02-10T11:40:48,485 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52 2026-02-10T11:40:48,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39 2026-02-10T11:40:48,488 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39 2026-02-10T11:40:48,490 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113 2026-02-10T11:40:48,491 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113 2026-02-10T11:40:48,493 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14 2026-02-10T11:40:48,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14 2026-02-10T11:40:48,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33 2026-02-10T11:40:48,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33 2026-02-10T11:40:48,500 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68 2026-02-10T11:40:48,501 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68 2026-02-10T11:40:48,503 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58 2026-02-10T11:40:48,504 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58 2026-02-10T11:40:48,506 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8 2026-02-10T11:40:48,507 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8 2026-02-10T11:40:48,509 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane 2026-02-10T11:40:48,511 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane 2026-02-10T11:40:48,513 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:40:48,514 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:40:48,516 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran 2026-02-10T11:40:48,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran 2026-02-10T11:40:48,519 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:40:48,520 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:40:48,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:40:48,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:40:48,527 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran 2026-02-10T11:40:48,528 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran 2026-02-10T11:40:48,531 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:40:48,532 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:40:48,534 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene 2026-02-10T11:40:48,535 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene 2026-02-10T11:40:48,538 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene 2026-02-10T11:40:48,539 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene 2026-02-10T11:40:48,541 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne 2026-02-10T11:40:48,542 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne 2026-02-10T11:40:48,544 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN 2026-02-10T11:40:48,545 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN 2026-02-10T11:40:48,547 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:40:48,548 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:40:48,550 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane 2026-02-10T11:40:48,551 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane 2026-02-10T11:40:48,553 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2 2026-02-10T11:40:48,554 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2 2026-02-10T11:40:48,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol 2026-02-10T11:40:48,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol 2026-02-10T11:40:48,562 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:40:48,563 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:40:48,565 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O 2026-02-10T11:40:48,566 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O 2026-02-10T11:40:48,568 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:40:48,570 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:40:48,572 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:40:48,573 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:40:48,575 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole 2026-02-10T11:40:48,576 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole 2026-02-10T11:40:48,578 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:40:48,579 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:40:48,581 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:40:48,582 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:40:48,585 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:40:48,586 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:40:48,588 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione 2026-02-10T11:40:48,589 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione 2026-02-10T11:40:48,591 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN 2026-02-10T11:40:48,592 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN 2026-02-10T11:40:48,594 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene 2026-02-10T11:40:48,595 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene 2026-02-10T11:40:48,597 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:40:48,598 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:40:48,600 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol 2026-02-10T11:40:48,601 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol 2026-02-10T11:40:48,603 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S 2026-02-10T11:40:48,604 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S 2026-02-10T11:40:48,606 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:40:48,607 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:40:48,609 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO 2026-02-10T11:40:48,610 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO 2026-02-10T11:40:48,612 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:40:48,613 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:40:48,615 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:40:48,616 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:40:48,619 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:40:48,620 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:40:48,622 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine 2026-02-10T11:40:48,623 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine 2026-02-10T11:40:48,625 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2 2026-02-10T11:40:48,626 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2 2026-02-10T11:40:48,628 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:40:48,629 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:40:48,631 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO 2026-02-10T11:40:48,632 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO 2026-02-10T11:40:48,634 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:40:48,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:40:48,638 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:40:48,639 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:40:48,641 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:40:48,642 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:40:48,644 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene 2026-02-10T11:40:48,645 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene 2026-02-10T11:40:48,647 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane 2026-02-10T11:40:48,648 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane 2026-02-10T11:40:48,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:40:48,651 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:40:48,653 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:40:48,654 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:40:48,656 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:40:48,657 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:40:48,659 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2 2026-02-10T11:40:48,660 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2 2026-02-10T11:40:48,662 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne 2026-02-10T11:40:48,663 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne 2026-02-10T11:40:48,665 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne 2026-02-10T11:40:48,666 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne 2026-02-10T11:40:48,669 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:40:48,670 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:40:48,672 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene 2026-02-10T11:40:48,673 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene 2026-02-10T11:40:48,675 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:40:48,676 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:40:48,678 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine 2026-02-10T11:40:48,679 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine 2026-02-10T11:40:48,681 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:40:48,682 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:40:48,684 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene 2026-02-10T11:40:48,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene 2026-02-10T11:40:48,687 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:40:48,688 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:40:48,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:40:48,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:40:48,693 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:40:48,694 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:40:48,697 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:40:48,698 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:40:48,700 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl 2026-02-10T11:40:48,701 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl 2026-02-10T11:40:48,703 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:40:48,704 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:40:48,706 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:40:48,707 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:40:48,709 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne 2026-02-10T11:40:48,710 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne 2026-02-10T11:40:48,712 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:40:48,713 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:40:48,715 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol 2026-02-10T11:40:48,716 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol 2026-02-10T11:40:48,718 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2 2026-02-10T11:40:48,719 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2 2026-02-10T11:40:48,721 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene 2026-02-10T11:40:48,722 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene 2026-02-10T11:40:48,724 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:40:48,725 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:40:48,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O 2026-02-10T11:40:48,728 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O 2026-02-10T11:40:48,731 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:40:48,732 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:40:48,734 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:40:48,735 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:40:48,737 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene 2026-02-10T11:40:48,738 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene 2026-02-10T11:40:48,741 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane 2026-02-10T11:40:48,742 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane 2026-02-10T11:40:48,744 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:40:48,745 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:40:48,748 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:40:48,749 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:40:48,751 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:40:48,752 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:40:48,754 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH 2026-02-10T11:40:48,755 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH 2026-02-10T11:40:48,757 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol 2026-02-10T11:40:48,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol 2026-02-10T11:40:48,760 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2 2026-02-10T11:40:48,761 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2 2026-02-10T11:40:48,763 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:40:48,764 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:40:48,766 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:40:48,767 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:40:48,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:40:48,771 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:40:48,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:40:48,774 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:40:48,776 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3 2026-02-10T11:40:48,777 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3 2026-02-10T11:40:48,779 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:40:48,780 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:40:48,782 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:40:48,783 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:40:48,785 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:40:48,786 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:40:48,789 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:40:48,790 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:40:48,793 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:40:48,794 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:40:48,797 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:40:48,798 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:40:48,800 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:40:48,801 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:40:48,803 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br 2026-02-10T11:40:48,804 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br 2026-02-10T11:40:48,806 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:40:48,807 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:40:48,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:40:48,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:40:48,812 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:40:48,813 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:40:48,815 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:40:48,816 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:40:48,818 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:40:48,819 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:40:48,821 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:40:48,822 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:40:48,824 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:40:48,825 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:40:48,827 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:40:48,828 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:40:48,831 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:40:48,832 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:40:48,834 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:40:48,835 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:40:48,837 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:40:48,838 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:40:48,840 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:40:48,841 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:40:48,844 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:40:48,845 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:40:48,847 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:40:48,848 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:40:48,850 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:40:48,851 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:40:48,853 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:40:48,854 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:40:48,856 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:40:48,857 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:40:48,859 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:40:48,861 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:40:48,863 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:40:48,864 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:40:48,866 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:40:48,867 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:40:48,869 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s 2026-02-10T11:40:48,870 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s 2026-02-10T11:40:48,872 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3 2026-02-10T11:40:48,873 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3 2026-02-10T11:40:48,875 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:40:48,876 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:40:48,878 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:40:48,879 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:40:48,881 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be 2026-02-10T11:40:48,882 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be 2026-02-10T11:40:48,884 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:40:48,885 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:40:48,887 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:40:48,888 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:40:48,890 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:40:48,892 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:40:48,894 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3 2026-02-10T11:40:48,895 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3 2026-02-10T11:40:48,897 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:40:48,898 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:40:48,900 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg 2026-02-10T11:40:48,901 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg 2026-02-10T11:40:48,903 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:40:48,904 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:40:48,907 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:40:48,908 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:40:48,910 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:40:48,911 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:40:48,913 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:40:48,914 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:40:48,916 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:40:48,917 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:40:48,919 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:40:48,919 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:40:48,922 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:40:48,923 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:40:48,925 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1 2026-02-10T11:40:48,926 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1 2026-02-10T11:40:48,928 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:40:48,929 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:40:48,931 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:40:48,932 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:40:48,934 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:40:48,935 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:40:48,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:40:48,939 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:40:48,941 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:40:48,942 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:40:48,944 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:40:48,945 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:40:48,947 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:40:48,948 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:40:48,950 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:40:48,951 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:40:48,953 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:40:48,954 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:40:48,956 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:40:48,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:40:48,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:40:48,961 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:40:48,963 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:40:48,964 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:40:48,966 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:40:48,967 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:40:48,969 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:40:48,970 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:40:48,972 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2 2026-02-10T11:40:48,973 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2 2026-02-10T11:40:48,975 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:40:48,976 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:40:48,978 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:40:48,979 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:40:48,981 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:40:48,982 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:40:48,984 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:40:48,985 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:40:48,987 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:40:48,988 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:40:48,991 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:40:48,992 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:40:48,994 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:40:48,995 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:40:48,997 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:40:48,998 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:40:49,000 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:40:49,001 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:40:49,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:40:49,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:40:49,006 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2 2026-02-10T11:40:49,008 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2 2026-02-10T11:40:49,010 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:40:49,011 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:40:49,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:40:49,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:40:49,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2 2026-02-10T11:40:49,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2 2026-02-10T11:40:49,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4 2026-02-10T11:40:49,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4 2026-02-10T11:40:49,022 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3 2026-02-10T11:40:49,023 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3 2026-02-10T11:40:49,025 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4 2026-02-10T11:40:49,026 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4 2026-02-10T11:40:49,028 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:40:49,029 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:40:49,031 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:40:49,032 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:40:49,034 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3 2026-02-10T11:40:49,035 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3 2026-02-10T11:40:49,037 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:40:49,038 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:40:49,040 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5 2026-02-10T11:40:49,041 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5 2026-02-10T11:40:49,044 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:40:49,045 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:40:49,047 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf 2026-02-10T11:40:49,048 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf 2026-02-10T11:40:49,050 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:40:49,051 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:40:49,053 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:40:49,054 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:40:49,056 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:40:49,057 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:40:49,059 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6 2026-02-10T11:40:49,060 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6 2026-02-10T11:40:49,062 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4 2026-02-10T11:40:49,063 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4 2026-02-10T11:40:49,066 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o 2026-02-10T11:40:49,067 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o 2026-02-10T11:40:49,069 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6 2026-02-10T11:40:49,070 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6 2026-02-10T11:40:49,072 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:40:49,073 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:40:49,075 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3 2026-02-10T11:40:49,076 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3 2026-02-10T11:40:49,078 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:40:49,079 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:40:49,081 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:40:49,082 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:40:49,084 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5 2026-02-10T11:40:49,085 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5 2026-02-10T11:40:49,087 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2 2026-02-10T11:40:49,088 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2 2026-02-10T11:40:49,090 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3 2026-02-10T11:40:49,091 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3 2026-02-10T11:40:49,093 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:40:49,094 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:40:49,096 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:40:49,098 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:40:49,100 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:40:49,101 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:40:49,103 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:40:49,104 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:40:49,106 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s 2026-02-10T11:40:49,107 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s 2026-02-10T11:40:49,109 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3 2026-02-10T11:40:49,110 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3 2026-02-10T11:40:49,112 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:40:49,113 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:40:49,116 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:40:49,116 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:40:49,119 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:40:49,120 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:40:49,122 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:40:49,123 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:40:49,125 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:40:49,126 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:40:49,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:40:49,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:40:49,131 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:40:49,132 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:40:49,134 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o 2026-02-10T11:40:49,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o 2026-02-10T11:40:49,137 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:40:49,138 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:40:49,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi 2026-02-10T11:40:49,141 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi 2026-02-10T11:40:49,144 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:40:49,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:40:49,147 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:40:49,148 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:40:49,150 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:40:49,151 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:40:49,153 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:40:49,154 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:40:49,157 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:40:49,158 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:40:49,160 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:40:49,161 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:40:49,163 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:40:49,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:40:49,166 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr 2026-02-10T11:40:49,167 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr 2026-02-10T11:40:49,169 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:40:49,170 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:40:49,172 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:40:49,173 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:40:49,175 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3 2026-02-10T11:40:49,176 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3 2026-02-10T11:40:49,179 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:40:49,180 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:40:49,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:40:49,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:40:49,185 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:40:49,186 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:40:49,188 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:40:49,189 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:40:49,191 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl 2026-02-10T11:40:49,192 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl 2026-02-10T11:40:49,194 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:40:49,195 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:40:49,197 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:40:49,198 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:40:49,200 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:40:49,201 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:40:49,203 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:40:49,204 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:40:49,206 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:40:49,207 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:40:49,209 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:40:49,210 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:40:49,213 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2 2026-02-10T11:40:49,214 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2 2026-02-10T11:40:49,217 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2 2026-02-10T11:40:49,219 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2 2026-02-10T11:40:49,221 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l 2026-02-10T11:40:49,222 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l 2026-02-10T11:40:49,225 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f 2026-02-10T11:40:49,226 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f 2026-02-10T11:40:49,228 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1 2026-02-10T11:40:49,229 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1 2026-02-10T11:40:49,231 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant 2026-02-10T11:40:49,232 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant 2026-02-10T11:40:49,234 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2 2026-02-10T11:40:49,235 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2 2026-02-10T11:40:49,238 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l 2026-02-10T11:40:49,239 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l 2026-02-10T11:40:49,241 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene 2026-02-10T11:40:49,242 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene 2026-02-10T11:40:49,245 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22 2026-02-10T11:40:49,245 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22 2026-02-10T11:40:49,248 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1 2026-02-10T11:40:49,249 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1 2026-02-10T11:40:49,251 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f 2026-02-10T11:40:49,252 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f 2026-02-10T11:40:49,254 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer 2026-02-10T11:40:49,255 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer 2026-02-10T11:40:49,257 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2 2026-02-10T11:40:49,258 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2 2026-02-10T11:40:49,261 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:40:49,262 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:40:49,265 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:40:49,266 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:40:49,268 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:40:49,269 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:40:49,271 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:40:49,272 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:40:49,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:40:49,276 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:40:49,278 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:40:49,279 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:40:49,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3 2026-02-10T11:40:49,282 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3 2026-02-10T11:40:49,285 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2 2026-02-10T11:40:49,286 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2 2026-02-10T11:40:49,288 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:40:49,289 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:40:49,292 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:40:49,293 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:40:49,295 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3 2026-02-10T11:40:49,296 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3 2026-02-10T11:40:49,298 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS 2026-02-10T11:40:49,299 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS 2026-02-10T11:40:49,301 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:40:49,302 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:40:49,304 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:40:49,305 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:40:49,308 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O 2026-02-10T11:40:49,309 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O 2026-02-10T11:40:49,311 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3 2026-02-10T11:40:49,312 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3 2026-02-10T11:40:49,314 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3 2026-02-10T11:40:49,315 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3 2026-02-10T11:40:49,318 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:40:49,319 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:40:49,321 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether 2026-02-10T11:40:49,322 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether 2026-02-10T11:40:49,324 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph 2026-02-10T11:40:49,326 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph 2026-02-10T11:40:49,328 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S 2026-02-10T11:40:49,329 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S 2026-02-10T11:40:49,332 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:40:49,333 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:40:49,335 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:40:49,336 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:40:49,338 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:40:49,339 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:40:49,341 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:40:49,342 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:40:49,345 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:40:49,346 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:40:49,348 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:40:49,349 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:40:49,352 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:40:49,353 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:40:49,355 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:40:49,356 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:40:49,358 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS 2026-02-10T11:40:49,359 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS 2026-02-10T11:40:49,361 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether 2026-02-10T11:40:49,362 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether 2026-02-10T11:40:49,365 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:40:49,366 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:40:49,368 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:40:49,369 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:40:49,371 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:40:49,372 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:40:49,375 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:40:49,376 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:40:49,378 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:40:49,379 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:40:49,381 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3 2026-02-10T11:40:49,382 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3 2026-02-10T11:40:49,385 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:40:49,386 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:40:49,388 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene 2026-02-10T11:40:49,389 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene 2026-02-10T11:40:49,391 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:40:49,392 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:40:49,395 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene 2026-02-10T11:40:49,396 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene 2026-02-10T11:40:49,398 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:40:49,399 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:40:49,401 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS 2026-02-10T11:40:49,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS 2026-02-10T11:40:49,405 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:40:49,406 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:40:49,408 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:40:49,409 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:40:49,411 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:40:49,412 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:40:49,414 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:40:49,415 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:40:49,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS 2026-02-10T11:40:49,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS 2026-02-10T11:40:49,420 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b 2026-02-10T11:40:49,422 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b 2026-02-10T11:40:49,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1 2026-02-10T11:40:49,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1 2026-02-10T11:40:49,427 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b 2026-02-10T11:40:49,428 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b 2026-02-10T11:40:49,430 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a 2026-02-10T11:40:49,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a 2026-02-10T11:40:49,433 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b 2026-02-10T11:40:49,434 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b 2026-02-10T11:40:49,436 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b 2026-02-10T11:40:49,437 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b 2026-02-10T11:40:49,439 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4 2026-02-10T11:40:49,440 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4 2026-02-10T11:40:49,443 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b 2026-02-10T11:40:49,443 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b 2026-02-10T11:40:49,446 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b 2026-02-10T11:40:49,447 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b 2026-02-10T11:40:49,449 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12 2026-02-10T11:40:49,450 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12 2026-02-10T11:40:49,452 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a 2026-02-10T11:40:49,453 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a 2026-02-10T11:40:49,455 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a 2026-02-10T11:40:49,456 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a 2026-02-10T11:40:49,458 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a 2026-02-10T11:40:49,459 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a 2026-02-10T11:40:49,461 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b 2026-02-10T11:40:49,462 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b 2026-02-10T11:40:49,464 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18 2026-02-10T11:40:49,465 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18 2026-02-10T11:40:49,467 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13 2026-02-10T11:40:49,468 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13 2026-02-10T11:40:49,470 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b 2026-02-10T11:40:49,471 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b 2026-02-10T11:40:49,473 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b 2026-02-10T11:40:49,474 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b 2026-02-10T11:40:49,477 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a 2026-02-10T11:40:49,478 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a 2026-02-10T11:40:49,480 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b 2026-02-10T11:40:49,481 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b 2026-02-10T11:40:49,483 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b 2026-02-10T11:40:49,484 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b 2026-02-10T11:40:49,486 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20 2026-02-10T11:40:49,487 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20 2026-02-10T11:40:49,489 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a 2026-02-10T11:40:49,490 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a 2026-02-10T11:40:49,492 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b 2026-02-10T11:40:49,493 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b 2026-02-10T11:40:49,496 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a 2026-02-10T11:40:49,497 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a 2026-02-10T11:40:49,499 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3 2026-02-10T11:40:49,500 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3 2026-02-10T11:40:49,502 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b 2026-02-10T11:40:49,503 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b 2026-02-10T11:40:49,506 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a 2026-02-10T11:40:49,507 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a 2026-02-10T11:40:49,509 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16 2026-02-10T11:40:49,510 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16 2026-02-10T11:40:49,512 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a 2026-02-10T11:40:49,513 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a 2026-02-10T11:40:49,515 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b 2026-02-10T11:40:49,516 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b 2026-02-10T11:40:49,518 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9 2026-02-10T11:40:49,519 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9 2026-02-10T11:40:49,521 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22 2026-02-10T11:40:49,522 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22 2026-02-10T11:40:49,524 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7 2026-02-10T11:40:49,525 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7 2026-02-10T11:40:49,527 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23 2026-02-10T11:40:49,528 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23 2026-02-10T11:40:49,530 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a 2026-02-10T11:40:49,531 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a 2026-02-10T11:40:49,533 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b 2026-02-10T11:40:49,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b 2026-02-10T11:40:49,537 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10 2026-02-10T11:40:49,538 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10 2026-02-10T11:40:49,540 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b 2026-02-10T11:40:49,541 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b 2026-02-10T11:40:49,543 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a 2026-02-10T11:40:49,544 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a 2026-02-10T11:40:49,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a 2026-02-10T11:40:49,547 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a 2026-02-10T11:40:49,549 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a 2026-02-10T11:40:49,550 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a 2026-02-10T11:40:49,553 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a 2026-02-10T11:40:49,554 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a 2026-02-10T11:40:49,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a 2026-02-10T11:40:49,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a 2026-02-10T11:40:49,559 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6 2026-02-10T11:40:49,560 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6 2026-02-10T11:40:49,562 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b 2026-02-10T11:40:49,563 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b 2026-02-10T11:40:49,565 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b 2026-02-10T11:40:49,566 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b 2026-02-10T11:40:49,568 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b 2026-02-10T11:40:49,569 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b 2026-02-10T11:40:49,571 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a 2026-02-10T11:40:49,572 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a 2026-02-10T11:40:49,574 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a 2026-02-10T11:40:49,576 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a 2026-02-10T11:40:49,578 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11 2026-02-10T11:40:49,579 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11 2026-02-10T11:40:49,581 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5 2026-02-10T11:40:49,582 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5 2026-02-10T11:40:49,584 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b 2026-02-10T11:40:49,585 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b 2026-02-10T11:40:49,587 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15 2026-02-10T11:40:49,588 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15 2026-02-10T11:40:49,590 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a 2026-02-10T11:40:49,591 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a 2026-02-10T11:40:49,593 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17 2026-02-10T11:40:49,594 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17 2026-02-10T11:40:49,597 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a 2026-02-10T11:40:49,598 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a 2026-02-10T11:40:49,600 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21 2026-02-10T11:40:49,601 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21 2026-02-10T11:40:49,603 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a 2026-02-10T11:40:49,604 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a 2026-02-10T11:40:49,606 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a 2026-02-10T11:40:49,607 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a 2026-02-10T11:40:49,609 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b 2026-02-10T11:40:49,610 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b 2026-02-10T11:40:49,612 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b 2026-02-10T11:40:49,613 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b 2026-02-10T11:40:49,615 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2 2026-02-10T11:40:49,616 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2 2026-02-10T11:40:49,618 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14 2026-02-10T11:40:49,619 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14 2026-02-10T11:40:49,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b 2026-02-10T11:40:49,622 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b 2026-02-10T11:40:49,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19 2026-02-10T11:40:49,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19 2026-02-10T11:40:49,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a 2026-02-10T11:40:49,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a 2026-02-10T11:40:49,630 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a 2026-02-10T11:40:49,631 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a 2026-02-10T11:40:49,633 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8 2026-02-10T11:40:49,634 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8 2026-02-10T11:40:49,636 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic 2026-02-10T11:40:49,638 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic 2026-02-10T11:40:49,640 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of 2026-02-10T11:40:49,641 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of 2026-02-10T11:40:49,643 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo 2026-02-10T11:40:49,644 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo 2026-02-10T11:40:49,646 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4 2026-02-10T11:40:49,647 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4 2026-02-10T11:40:49,649 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh 2026-02-10T11:40:49,650 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh 2026-02-10T11:40:49,653 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc 2026-02-10T11:40:49,653 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc 2026-02-10T11:40:49,656 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh 2026-02-10T11:40:49,657 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh 2026-02-10T11:40:49,659 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic 2026-02-10T11:40:49,660 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic 2026-02-10T11:40:49,662 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal 2026-02-10T11:40:49,663 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal 2026-02-10T11:40:49,665 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof 2026-02-10T11:40:49,666 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof 2026-02-10T11:40:49,668 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono 2026-02-10T11:40:49,669 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono 2026-02-10T11:40:49,672 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene 2026-02-10T11:40:49,673 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene 2026-02-10T11:40:49,675 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:40:49,676 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:40:49,678 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:40:49,679 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:40:49,681 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2 2026-02-10T11:40:49,682 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2 2026-02-10T11:40:49,684 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh 2026-02-10T11:40:49,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh 2026-02-10T11:40:49,687 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf 2026-02-10T11:40:49,688 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf 2026-02-10T11:40:49,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2 2026-02-10T11:40:49,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2 2026-02-10T11:40:49,694 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2 2026-02-10T11:40:49,695 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2 2026-02-10T11:40:49,697 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof 2026-02-10T11:40:49,699 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof 2026-02-10T11:40:49,701 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf 2026-02-10T11:40:49,702 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf 2026-02-10T11:40:49,705 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s 2026-02-10T11:40:49,706 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s 2026-02-10T11:40:49,708 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf 2026-02-10T11:40:49,709 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf 2026-02-10T11:40:49,711 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co 2026-02-10T11:40:49,712 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co 2026-02-10T11:40:49,714 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3 2026-02-10T11:40:49,715 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3 2026-02-10T11:40:49,717 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3 2026-02-10T11:40:49,718 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3 2026-02-10T11:40:49,721 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn 2026-02-10T11:40:49,722 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn 2026-02-10T11:40:49,724 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol 2026-02-10T11:40:49,725 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol 2026-02-10T11:40:49,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh 2026-02-10T11:40:49,729 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh 2026-02-10T11:40:49,732 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2 2026-02-10T11:40:49,733 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2 2026-02-10T11:40:49,740 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol 2026-02-10T11:40:49,742 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol 2026-02-10T11:40:49,744 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2 2026-02-10T11:40:49,745 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2 2026-02-10T11:40:49,747 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f 2026-02-10T11:40:49,748 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f 2026-02-10T11:40:49,751 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6 2026-02-10T11:40:49,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6 2026-02-10T11:40:49,754 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4 2026-02-10T11:40:49,755 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4 2026-02-10T11:40:49,757 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs 2026-02-10T11:40:49,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs 2026-02-10T11:40:49,760 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn 2026-02-10T11:40:49,761 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn 2026-02-10T11:40:49,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3 2026-02-10T11:40:49,765 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3 2026-02-10T11:40:49,767 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b 2026-02-10T11:40:49,768 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b 2026-02-10T11:40:49,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2 2026-02-10T11:40:49,771 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2 2026-02-10T11:40:49,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2 2026-02-10T11:40:49,775 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2 2026-02-10T11:40:49,777 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl 2026-02-10T11:40:49,779 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl 2026-02-10T11:40:49,781 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh 2026-02-10T11:40:49,782 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh 2026-02-10T11:40:49,784 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:40:49,785 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:40:49,787 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o 2026-02-10T11:40:49,788 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o 2026-02-10T11:40:49,790 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4 2026-02-10T11:40:49,791 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4 2026-02-10T11:40:49,793 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:40:49,794 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:40:49,796 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6 2026-02-10T11:40:49,798 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6 2026-02-10T11:40:49,800 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno 2026-02-10T11:40:49,801 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno 2026-02-10T11:40:49,803 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2 2026-02-10T11:40:49,804 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2 2026-02-10T11:40:49,806 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo 2026-02-10T11:40:49,807 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo 2026-02-10T11:40:49,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn 2026-02-10T11:40:49,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn 2026-02-10T11:40:49,812 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne 2026-02-10T11:40:49,813 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne 2026-02-10T11:40:49,815 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2 2026-02-10T11:40:49,816 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2 2026-02-10T11:40:49,818 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o 2026-02-10T11:40:49,819 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o 2026-02-10T11:40:49,821 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:40:49,822 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:40:49,825 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf 2026-02-10T11:40:49,826 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf 2026-02-10T11:40:49,828 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4 2026-02-10T11:40:49,829 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4 2026-02-10T11:40:49,831 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be 2026-02-10T11:40:49,832 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be 2026-02-10T11:40:49,834 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf 2026-02-10T11:40:49,835 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf 2026-02-10T11:40:49,837 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o 2026-02-10T11:40:49,838 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o 2026-02-10T11:40:49,840 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4 2026-02-10T11:40:49,841 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4 2026-02-10T11:40:49,843 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf 2026-02-10T11:40:49,845 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf 2026-02-10T11:40:49,847 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3 2026-02-10T11:40:49,848 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3 2026-02-10T11:40:49,851 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h 2026-02-10T11:40:49,852 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h 2026-02-10T11:40:49,854 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo 2026-02-10T11:40:49,855 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo 2026-02-10T11:40:49,857 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl 2026-02-10T11:40:49,859 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl 2026-02-10T11:40:49,861 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6 2026-02-10T11:40:49,862 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6 2026-02-10T11:40:49,864 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2 2026-02-10T11:40:49,865 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2 2026-02-10T11:40:49,867 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo 2026-02-10T11:40:49,868 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo 2026-02-10T11:40:49,870 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane 2026-02-10T11:40:49,871 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane 2026-02-10T11:40:49,873 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco 2026-02-10T11:40:49,874 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco 2026-02-10T11:40:49,876 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si 2026-02-10T11:40:49,877 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si 2026-02-10T11:40:49,879 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n 2026-02-10T11:40:49,880 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n 2026-02-10T11:40:49,882 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h 2026-02-10T11:40:49,883 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h 2026-02-10T11:40:49,885 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane 2026-02-10T11:40:49,886 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane 2026-02-10T11:40:49,888 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2 2026-02-10T11:40:49,889 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2 2026-02-10T11:40:49,891 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene 2026-02-10T11:40:49,892 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene 2026-02-10T11:40:49,894 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl 2026-02-10T11:40:49,895 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl 2026-02-10T11:40:49,897 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2 2026-02-10T11:40:49,898 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2 2026-02-10T11:40:49,901 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f 2026-02-10T11:40:49,902 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f 2026-02-10T11:40:49,904 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3 2026-02-10T11:40:49,905 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3 2026-02-10T11:40:49,907 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2 2026-02-10T11:40:49,908 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2 2026-02-10T11:40:49,910 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o 2026-02-10T11:40:49,911 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o 2026-02-10T11:40:49,914 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3 2026-02-10T11:40:49,915 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3 2026-02-10T11:40:49,917 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s 2026-02-10T11:40:49,918 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s 2026-02-10T11:40:49,920 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o 2026-02-10T11:40:49,921 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o 2026-02-10T11:40:49,923 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3 2026-02-10T11:40:49,924 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3 2026-02-10T11:40:49,928 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4 2026-02-10T11:40:49,929 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4 2026-02-10T11:40:49,932 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3 2026-02-10T11:40:49,933 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3 2026-02-10T11:40:49,935 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih 2026-02-10T11:40:49,936 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih 2026-02-10T11:40:49,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof 2026-02-10T11:40:49,939 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof 2026-02-10T11:40:49,941 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f 2026-02-10T11:40:49,943 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f 2026-02-10T11:40:49,945 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno 2026-02-10T11:40:49,946 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno 2026-02-10T11:40:49,948 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no 2026-02-10T11:40:49,949 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no 2026-02-10T11:40:49,951 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c 2026-02-10T11:40:49,952 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c 2026-02-10T11:40:49,954 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh 2026-02-10T11:40:49,955 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh 2026-02-10T11:40:49,957 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co 2026-02-10T11:40:49,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co 2026-02-10T11:40:49,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene 2026-02-10T11:40:49,961 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene 2026-02-10T11:40:49,963 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn 2026-02-10T11:40:49,965 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn 2026-02-10T11:40:49,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs 2026-02-10T11:40:49,968 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs 2026-02-10T11:40:49,970 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p 2026-02-10T11:40:49,971 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p 2026-02-10T11:40:49,973 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:40:49,974 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:40:49,976 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch 2026-02-10T11:40:49,977 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch 2026-02-10T11:40:49,979 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3 2026-02-10T11:40:49,980 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3 2026-02-10T11:40:49,983 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh 2026-02-10T11:40:49,983 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh 2026-02-10T11:40:49,986 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2 2026-02-10T11:40:49,987 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2 2026-02-10T11:40:49,989 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2 2026-02-10T11:40:49,990 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2 2026-02-10T11:40:49,992 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f 2026-02-10T11:40:49,993 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f 2026-02-10T11:40:49,995 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2 2026-02-10T11:40:49,996 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2 2026-02-10T11:40:49,998 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs 2026-02-10T11:40:49,999 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs 2026-02-10T11:40:50,001 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi 2026-02-10T11:40:50,002 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi 2026-02-10T11:40:50,004 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl 2026-02-10T11:40:50,005 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl 2026-02-10T11:40:50,007 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2 2026-02-10T11:40:50,008 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2 2026-02-10T11:40:50,010 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene 2026-02-10T11:40:50,011 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene 2026-02-10T11:40:50,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo 2026-02-10T11:40:50,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo 2026-02-10T11:40:50,017 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2 2026-02-10T11:40:50,018 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2 2026-02-10T11:40:50,020 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf 2026-02-10T11:40:50,021 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf 2026-02-10T11:40:50,023 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so 2026-02-10T11:40:50,024 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so 2026-02-10T11:40:50,026 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch 2026-02-10T11:40:50,027 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch 2026-02-10T11:40:50,029 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2 2026-02-10T11:40:50,030 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2 2026-02-10T11:40:50,032 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane 2026-02-10T11:40:50,033 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane 2026-02-10T11:40:50,035 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o 2026-02-10T11:40:50,036 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o 2026-02-10T11:40:50,038 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc 2026-02-10T11:40:50,039 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc 2026-02-10T11:40:50,041 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:40:50,042 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:40:50,044 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3 2026-02-10T11:40:50,045 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3 2026-02-10T11:40:50,047 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c 2026-02-10T11:40:50,048 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c 2026-02-10T11:40:50,051 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2 2026-02-10T11:40:50,052 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2 2026-02-10T11:40:50,054 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco 2026-02-10T11:40:50,055 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco 2026-02-10T11:40:50,057 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2 2026-02-10T11:40:50,058 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2 2026-02-10T11:40:50,060 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn 2026-02-10T11:40:50,061 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn 2026-02-10T11:40:50,063 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:40:50,065 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:40:50,067 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f 2026-02-10T11:40:50,068 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f 2026-02-10T11:40:50,070 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn 2026-02-10T11:40:50,071 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn 2026-02-10T11:40:50,073 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co 2026-02-10T11:40:50,074 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co 2026-02-10T11:40:50,076 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:40:50,077 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:40:50,079 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif 2026-02-10T11:40:50,080 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif 2026-02-10T11:40:50,083 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4 2026-02-10T11:40:50,084 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4 2026-02-10T11:40:50,086 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3 2026-02-10T11:40:50,087 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3 2026-02-10T11:40:50,089 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2 2026-02-10T11:40:50,090 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2 2026-02-10T11:40:50,092 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al 2026-02-10T11:40:50,093 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al 2026-02-10T11:40:50,095 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh 2026-02-10T11:40:50,096 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh 2026-02-10T11:40:50,098 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono 2026-02-10T11:40:50,099 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono 2026-02-10T11:40:50,101 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn 2026-02-10T11:40:50,102 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn 2026-02-10T11:40:50,104 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo 2026-02-10T11:40:50,105 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo 2026-02-10T11:40:50,107 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio 2026-02-10T11:40:50,108 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio 2026-02-10T11:40:50,110 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh 2026-02-10T11:40:50,111 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh 2026-02-10T11:40:50,113 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:40:50,115 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:40:50,117 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch 2026-02-10T11:40:50,118 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch 2026-02-10T11:40:50,120 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl 2026-02-10T11:40:50,121 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl 2026-02-10T11:40:50,123 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn 2026-02-10T11:40:50,124 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn 2026-02-10T11:40:50,126 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2 2026-02-10T11:40:50,127 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2 2026-02-10T11:40:50,129 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07 2026-02-10T11:40:50,131 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07 2026-02-10T11:40:50,133 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36 2026-02-10T11:40:50,134 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36 2026-02-10T11:40:50,136 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02 2026-02-10T11:40:50,138 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02 2026-02-10T11:40:50,140 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12 2026-02-10T11:40:50,141 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12 2026-02-10T11:40:50,143 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27 2026-02-10T11:40:50,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27 2026-02-10T11:40:50,147 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18 2026-02-10T11:40:50,148 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18 2026-02-10T11:40:50,150 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34 2026-02-10T11:40:50,151 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34 2026-02-10T11:40:50,153 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13 2026-02-10T11:40:50,153 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13 2026-02-10T11:40:50,156 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38 2026-02-10T11:40:50,157 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38 2026-02-10T11:40:50,159 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2 2026-02-10T11:40:50,160 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2 2026-02-10T11:40:50,162 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH 2026-02-10T11:40:50,163 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH 2026-02-10T11:40:50,165 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2 2026-02-10T11:40:50,166 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2 2026-02-10T11:40:50,169 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05 2026-02-10T11:40:50,170 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05 2026-02-10T11:40:50,172 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20 2026-02-10T11:40:50,173 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20 2026-02-10T11:40:50,176 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01 2026-02-10T11:40:50,177 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01 2026-02-10T11:40:50,179 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08 2026-02-10T11:40:50,180 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08 2026-02-10T11:40:50,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41 2026-02-10T11:40:50,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41 2026-02-10T11:40:50,185 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4 2026-02-10T11:40:50,186 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4 2026-02-10T11:40:50,188 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2 2026-02-10T11:40:50,189 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2 2026-02-10T11:40:50,191 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04 2026-02-10T11:40:50,192 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04 2026-02-10T11:40:50,194 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16 2026-02-10T11:40:50,195 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16 2026-02-10T11:40:50,198 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4 2026-02-10T11:40:50,199 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4 2026-02-10T11:40:50,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2 2026-02-10T11:40:50,202 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2 2026-02-10T11:40:50,204 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25 2026-02-10T11:40:50,205 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25 2026-02-10T11:40:50,207 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30 2026-02-10T11:40:50,208 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30 2026-02-10T11:40:50,210 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH 2026-02-10T11:40:50,210 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH 2026-02-10T11:40:50,213 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43 2026-02-10T11:40:50,213 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43 2026-02-10T11:40:50,216 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2 2026-02-10T11:40:50,217 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2 2026-02-10T11:40:50,219 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09 2026-02-10T11:40:50,220 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09 2026-02-10T11:40:50,222 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37 2026-02-10T11:40:50,223 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37 2026-02-10T11:40:50,225 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3 2026-02-10T11:40:50,226 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3 2026-02-10T11:40:50,228 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22 2026-02-10T11:40:50,229 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22 2026-02-10T11:40:50,231 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23 2026-02-10T11:40:50,232 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23 2026-02-10T11:40:50,234 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2 2026-02-10T11:40:50,235 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2 2026-02-10T11:40:50,237 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10 2026-02-10T11:40:50,238 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10 2026-02-10T11:40:50,240 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06 2026-02-10T11:40:50,241 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06 2026-02-10T11:40:50,244 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2 2026-02-10T11:40:50,245 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2 2026-02-10T11:40:50,247 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28 2026-02-10T11:40:50,248 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28 2026-02-10T11:40:50,250 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26 2026-02-10T11:40:50,251 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26 2026-02-10T11:40:50,254 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40 2026-02-10T11:40:50,255 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40 2026-02-10T11:40:50,257 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11 2026-02-10T11:40:50,258 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11 2026-02-10T11:40:50,260 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32 2026-02-10T11:40:50,261 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32 2026-02-10T11:40:50,263 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2 2026-02-10T11:40:50,263 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2 2026-02-10T11:40:50,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24 2026-02-10T11:40:50,267 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24 2026-02-10T11:40:50,269 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15 2026-02-10T11:40:50,270 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15 2026-02-10T11:40:50,272 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03 2026-02-10T11:40:50,273 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03 2026-02-10T11:40:50,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17 2026-02-10T11:40:50,276 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17 2026-02-10T11:40:50,278 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21 2026-02-10T11:40:50,279 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21 2026-02-10T11:40:50,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3 2026-02-10T11:40:50,282 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3 2026-02-10T11:40:50,284 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42 2026-02-10T11:40:50,285 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42 2026-02-10T11:40:50,287 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39 2026-02-10T11:40:50,288 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39 2026-02-10T11:40:50,290 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35 2026-02-10T11:40:50,291 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35 2026-02-10T11:40:50,293 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14 2026-02-10T11:40:50,295 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14 2026-02-10T11:40:50,297 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19 2026-02-10T11:40:50,298 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19 2026-02-10T11:40:50,300 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33 2026-02-10T11:40:50,301 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33 2026-02-10T11:40:50,303 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2 2026-02-10T11:40:50,304 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2 2026-02-10T11:40:50,306 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29 2026-02-10T11:40:50,307 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29 2026-02-10T11:40:50,309 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31 2026-02-10T11:40:50,310 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31 2026-02-10T11:40:50,312 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z 2026-02-10T11:40:50,314 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z 2026-02-10T11:40:50,316 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b 2026-02-10T11:40:50,317 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b 2026-02-10T11:40:50,319 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e 2026-02-10T11:40:50,320 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e 2026-02-10T11:40:50,322 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d 2026-02-10T11:40:50,323 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d 2026-02-10T11:40:50,325 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m 2026-02-10T11:40:50,326 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m 2026-02-10T11:40:50,328 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b 2026-02-10T11:40:50,329 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b 2026-02-10T11:40:50,332 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f 2026-02-10T11:40:50,333 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f 2026-02-10T11:40:50,335 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a 2026-02-10T11:40:50,336 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a 2026-02-10T11:40:50,339 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b 2026-02-10T11:40:50,339 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b 2026-02-10T11:40:50,342 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b 2026-02-10T11:40:50,343 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b 2026-02-10T11:40:50,345 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h 2026-02-10T11:40:50,346 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h 2026-02-10T11:40:50,349 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g 2026-02-10T11:40:50,350 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g 2026-02-10T11:40:50,352 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p 2026-02-10T11:40:50,353 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p 2026-02-10T11:40:50,355 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p 2026-02-10T11:40:50,356 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p 2026-02-10T11:40:50,359 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a 2026-02-10T11:40:50,360 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a 2026-02-10T11:40:50,362 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p 2026-02-10T11:40:50,363 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p 2026-02-10T11:40:50,365 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d 2026-02-10T11:40:50,366 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d 2026-02-10T11:40:50,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a 2026-02-10T11:40:50,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a 2026-02-10T11:40:50,372 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a 2026-02-10T11:40:50,373 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a 2026-02-10T11:40:50,375 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c 2026-02-10T11:40:50,376 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c 2026-02-10T11:40:50,378 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p 2026-02-10T11:40:50,379 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p 2026-02-10T11:40:50,381 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa 2026-02-10T11:40:50,382 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa 2026-02-10T11:40:50,384 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a 2026-02-10T11:40:50,385 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a 2026-02-10T11:40:50,388 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a 2026-02-10T11:40:50,389 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a 2026-02-10T11:40:50,391 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:40:50,392 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:40:50,395 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:40:50,396 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:40:50,398 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:40:50,399 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:40:50,401 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:40:50,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:40:50,404 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:40:50,405 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:40:50,408 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:40:50,409 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:40:50,411 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:40:50,412 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:40:50,414 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:40:50,415 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:40:50,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:40:50,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:40:50,421 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:40:50,422 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:40:50,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:40:50,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:40:50,427 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2 2026-02-10T11:40:50,428 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2 2026-02-10T11:40:50,430 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:40:50,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:40:50,434 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:40:50,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:40:50,437 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:40:50,438 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:40:50,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:40:50,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:40:50,443 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:40:50,444 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:40:50,447 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:40:50,448 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:40:50,451 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:40:50,452 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:40:50,456 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:40:50,457 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:40:50,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:40:50,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:40:50,463 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:40:50,464 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:40:50,468 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:40:50,469 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:40:50,471 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:40:50,472 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:40:50,475 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2 2026-02-10T11:40:50,476 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2 2026-02-10T11:40:50,478 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:40:50,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:40:50,481 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:40:50,482 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:40:50,484 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:40:50,485 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:40:50,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:40:50,488 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:40:50,490 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:40:50,491 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:40:50,493 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:40:50,494 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:40:50,496 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:40:50,497 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:40:50,499 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:40:50,500 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:40:50,503 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:40:50,503 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:40:50,506 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:40:50,507 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:40:50,509 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:40:50,510 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:40:50,513 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:40:50,514 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:40:50,516 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:40:50,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:40:50,520 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:40:50,521 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:40:50,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:40:50,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:40:50,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b 2026-02-10T11:40:50,528 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b 2026-02-10T11:40:50,530 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b 2026-02-10T11:40:50,531 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b 2026-02-10T11:40:50,533 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c 2026-02-10T11:40:50,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c 2026-02-10T11:40:50,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a 2026-02-10T11:40:50,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a 2026-02-10T11:40:50,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b 2026-02-10T11:40:50,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b 2026-02-10T11:40:50,542 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c 2026-02-10T11:40:50,543 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c 2026-02-10T11:40:50,545 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b 2026-02-10T11:40:50,546 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b 2026-02-10T11:40:50,548 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c 2026-02-10T11:40:50,549 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c 2026-02-10T11:40:50,552 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a 2026-02-10T11:40:50,553 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a 2026-02-10T11:40:50,555 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d 2026-02-10T11:40:50,556 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d 2026-02-10T11:40:50,559 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a 2026-02-10T11:40:50,559 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a 2026-02-10T11:40:50,562 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b 2026-02-10T11:40:50,563 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b 2026-02-10T11:40:50,565 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b 2026-02-10T11:40:50,566 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b 2026-02-10T11:40:50,568 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d 2026-02-10T11:40:50,569 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d 2026-02-10T11:40:50,571 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a 2026-02-10T11:40:50,572 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a 2026-02-10T11:40:50,575 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a 2026-02-10T11:40:50,576 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a 2026-02-10T11:40:50,578 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b 2026-02-10T11:40:50,579 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b 2026-02-10T11:40:50,581 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a 2026-02-10T11:40:50,582 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a 2026-02-10T11:40:50,584 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b 2026-02-10T11:40:50,585 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b 2026-02-10T11:40:50,587 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a 2026-02-10T11:40:50,589 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a 2026-02-10T11:40:50,591 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a 2026-02-10T11:40:50,592 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a 2026-02-10T11:40:50,594 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b 2026-02-10T11:40:50,595 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b 2026-02-10T11:40:50,597 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b 2026-02-10T11:40:50,598 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b 2026-02-10T11:40:50,600 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a 2026-02-10T11:40:50,601 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a 2026-02-10T11:40:50,603 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a 2026-02-10T11:40:50,604 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a 2026-02-10T11:40:50,607 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:40:50,608 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:40:50,610 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:40:50,611 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:40:50,614 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:40:50,615 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:40:50,617 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:40:50,618 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:40:50,620 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:40:50,621 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:40:50,623 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:40:50,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:40:50,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:40:50,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:40:50,630 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:40:50,631 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:40:50,633 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:40:50,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:40:50,637 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:40:50,638 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:40:50,640 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:40:50,642 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:40:50,644 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:40:50,653 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:40:50,655 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:40:50,656 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:40:50,658 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:40:50,659 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:40:50,661 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:40:50,662 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:40:50,664 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:40:50,665 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:40:50,667 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:40:50,670 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:40:50,672 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:40:50,673 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:40:50,675 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:40:50,676 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:40:50,678 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:40:50,679 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:40:50,681 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:40:50,682 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:40:50,684 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:40:50,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:40:50,687 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:40:50,688 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:40:50,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:40:50,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:40:50,694 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:40:50,695 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:40:50,697 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:40:50,698 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:40:50,700 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:40:50,701 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:40:50,703 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:40:50,704 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:40:50,707 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:40:50,708 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:40:50,710 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:40:50,711 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:40:50,713 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:40:50,714 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:40:50,716 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:40:50,717 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:40:50,720 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:40:50,720 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:40:50,723 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:40:50,724 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:40:50,726 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:40:50,727 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:40:50,729 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:40:50,730 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:40:50,732 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:40:50,733 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:40:50,735 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:40:50,736 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:40:50,738 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:40:50,739 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:40:50,741 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:40:50,742 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:40:50,744 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:40:50,745 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:40:50,748 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:40:50,749 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:40:50,751 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:40:50,752 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:40:50,754 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:40:50,755 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:40:50,758 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:40:50,759 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:40:50,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:40:50,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:40:50,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:40:50,765 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:40:50,767 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:40:50,768 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:40:50,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:40:50,771 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:40:50,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:40:50,774 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:40:50,776 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:40:50,777 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:40:50,779 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:40:50,780 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:40:50,783 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:40:50,783 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:40:50,786 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:40:50,787 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:40:50,789 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:40:50,790 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:40:50,792 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:40:50,793 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:40:50,796 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:40:50,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:40:50,799 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:40:50,800 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:40:50,802 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:40:50,803 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:40:50,805 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:40:50,806 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:40:50,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:40:50,809 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:40:50,812 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:40:50,813 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:40:50,815 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:40:50,816 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:40:50,818 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:40:50,819 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:40:50,821 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:40:50,822 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:40:50,825 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:40:50,826 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:40:50,828 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3 2026-02-10T11:40:50,829 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3 2026-02-10T11:40:50,831 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3 2026-02-10T11:40:50,832 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3 2026-02-10T11:40:50,835 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:40:50,836 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:40:50,838 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:40:50,839 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:40:50,841 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3 2026-02-10T11:40:50,842 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3 2026-02-10T11:40:50,844 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:40:50,845 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:40:50,848 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3 2026-02-10T11:40:50,849 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3 2026-02-10T11:40:50,851 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:40:50,852 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:40:50,854 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:40:50,855 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:40:50,857 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut 2026-02-10T11:40:50,858 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut 2026-02-10T11:40:50,860 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F 2026-02-10T11:40:50,861 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F 2026-02-10T11:40:50,863 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H 2026-02-10T11:40:50,865 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H 2026-02-10T11:40:50,867 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2 2026-02-10T11:40:50,868 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2 2026-02-10T11:40:50,870 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3 2026-02-10T11:40:50,871 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3 2026-02-10T11:40:50,873 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3 2026-02-10T11:40:50,874 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3 2026-02-10T11:40:50,876 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3 2026-02-10T11:40:50,877 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3 2026-02-10T11:40:50,879 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz 2026-02-10T11:40:50,880 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz 2026-02-10T11:40:50,882 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:40:50,883 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:40:50,886 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch 2026-02-10T11:40:50,887 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch 2026-02-10T11:40:50,890 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2 2026-02-10T11:40:50,891 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2 2026-02-10T11:40:50,893 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1 2026-02-10T11:40:50,895 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1 2026-02-10T11:40:50,897 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3 2026-02-10T11:40:50,898 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3 2026-02-10T11:40:50,900 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2 2026-02-10T11:40:50,901 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2 2026-02-10T11:40:50,903 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2 2026-02-10T11:40:50,904 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2 2026-02-10T11:40:50,906 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e 2026-02-10T11:40:50,907 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e 2026-02-10T11:40:50,909 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e 2026-02-10T11:40:50,910 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e 2026-02-10T11:40:50,913 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3 2026-02-10T11:40:50,914 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3 2026-02-10T11:40:50,916 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3 2026-02-10T11:40:50,917 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3 2026-02-10T11:40:50,919 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e 2026-02-10T11:40:50,920 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e 2026-02-10T11:40:50,922 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1 2026-02-10T11:40:50,923 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1 2026-02-10T11:40:50,925 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1 2026-02-10T11:40:50,926 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1 2026-02-10T11:40:50,929 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2 2026-02-10T11:40:50,930 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2 2026-02-10T11:40:50,932 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3 2026-02-10T11:40:50,933 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3 2026-02-10T11:40:50,935 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e 2026-02-10T11:40:50,936 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e 2026-02-10T11:40:50,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5 2026-02-10T11:40:50,939 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5 2026-02-10T11:40:50,941 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int 2026-02-10T11:40:50,941 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int 2026-02-10T11:40:50,944 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1 2026-02-10T11:40:50,945 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1 2026-02-10T11:40:50,947 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p 2026-02-10T11:40:50,948 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p 2026-02-10T11:40:50,950 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr 2026-02-10T11:40:50,951 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr 2026-02-10T11:40:50,953 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1 2026-02-10T11:40:50,954 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1 2026-02-10T11:40:50,956 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2 2026-02-10T11:40:50,957 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2 2026-02-10T11:40:50,959 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p 2026-02-10T11:40:50,960 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p 2026-02-10T11:40:50,962 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me 2026-02-10T11:40:50,963 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me 2026-02-10T11:40:50,965 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene 2026-02-10T11:40:50,966 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene 2026-02-10T11:40:50,969 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2 2026-02-10T11:40:50,970 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2 2026-02-10T11:40:50,972 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6 2026-02-10T11:40:50,973 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6 2026-02-10T11:40:50,975 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e 2026-02-10T11:40:50,976 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e 2026-02-10T11:40:50,978 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e 2026-02-10T11:40:50,979 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e 2026-02-10T11:40:50,981 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4 2026-02-10T11:40:50,982 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4 2026-02-10T11:40:50,984 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3 2026-02-10T11:40:50,985 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3 2026-02-10T11:40:50,987 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1 2026-02-10T11:40:50,988 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1 2026-02-10T11:40:50,990 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1 2026-02-10T11:40:50,991 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1 2026-02-10T11:40:50,993 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3 2026-02-10T11:40:50,995 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3 2026-02-10T11:40:50,997 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e 2026-02-10T11:40:50,998 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e 2026-02-10T11:40:51,000 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2 2026-02-10T11:40:51,001 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2 2026-02-10T11:40:51,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1 2026-02-10T11:40:51,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1 2026-02-10T11:40:51,006 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e 2026-02-10T11:40:51,007 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e 2026-02-10T11:40:51,009 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2 2026-02-10T11:40:51,010 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2 2026-02-10T11:40:51,012 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1 2026-02-10T11:40:51,013 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1 2026-02-10T11:40:51,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e 2026-02-10T11:40:51,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e 2026-02-10T11:40:51,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e 2026-02-10T11:40:51,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e 2026-02-10T11:40:51,022 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25 2026-02-10T11:40:51,024 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25 2026-02-10T11:40:51,026 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52 2026-02-10T11:40:51,027 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52 2026-02-10T11:40:51,029 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45 2026-02-10T11:40:51,030 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45 2026-02-10T11:40:51,033 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45 2026-02-10T11:40:51,034 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45 2026-02-10T11:40:51,036 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51 2026-02-10T11:40:51,038 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51 2026-02-10T11:40:51,040 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40 2026-02-10T11:40:51,041 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40 2026-02-10T11:40:51,044 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44 2026-02-10T11:40:51,045 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44 2026-02-10T11:40:51,047 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60 2026-02-10T11:40:51,048 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60 2026-02-10T11:40:51,050 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60 2026-02-10T11:40:51,051 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60 2026-02-10T11:40:51,053 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56 2026-02-10T11:40:51,054 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56 2026-02-10T11:40:51,056 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43 2026-02-10T11:40:51,058 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43 2026-02-10T11:40:51,060 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21 2026-02-10T11:40:51,061 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21 2026-02-10T11:40:51,063 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44 2026-02-10T11:40:51,064 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44 2026-02-10T11:40:51,066 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29 2026-02-10T11:40:51,067 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29 2026-02-10T11:40:51,069 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26 2026-02-10T11:40:51,070 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26 2026-02-10T11:40:51,073 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22 2026-02-10T11:40:51,074 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22 2026-02-10T11:40:51,076 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57 2026-02-10T11:40:51,077 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57 2026-02-10T11:40:51,079 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26 2026-02-10T11:40:51,080 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26 2026-02-10T11:40:51,083 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20 2026-02-10T11:40:51,084 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20 2026-02-10T11:40:51,086 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22 2026-02-10T11:40:51,087 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22 2026-02-10T11:40:51,089 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43 2026-02-10T11:40:51,090 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43 2026-02-10T11:40:51,092 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52 2026-02-10T11:40:51,094 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52 2026-02-10T11:40:51,096 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47 2026-02-10T11:40:51,097 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47 2026-02-10T11:40:51,099 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47 2026-02-10T11:40:51,100 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47 2026-02-10T11:40:51,102 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28 2026-02-10T11:40:51,103 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28 2026-02-10T11:40:51,106 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49 2026-02-10T11:40:51,107 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49 2026-02-10T11:40:51,109 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48 2026-02-10T11:40:51,110 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48 2026-02-10T11:40:51,112 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49 2026-02-10T11:40:51,113 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49 2026-02-10T11:40:51,116 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48 2026-02-10T11:40:51,117 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48 2026-02-10T11:40:51,119 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20 2026-02-10T11:40:51,120 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20 2026-02-10T11:40:51,122 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46 2026-02-10T11:40:51,123 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46 2026-02-10T11:40:51,125 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51 2026-02-10T11:40:51,126 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51 2026-02-10T11:40:51,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40 2026-02-10T11:40:51,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40 2026-02-10T11:40:51,131 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46 2026-02-10T11:40:51,132 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46 2026-02-10T11:40:51,135 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25 2026-02-10T11:40:51,136 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25 2026-02-10T11:40:51,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56 2026-02-10T11:40:51,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56 2026-02-10T11:40:51,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:40:51,143 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:40:51,145 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1 2026-02-10T11:40:51,146 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1 2026-02-10T11:40:51,148 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2 2026-02-10T11:40:51,149 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2 2026-02-10T11:40:51,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1 2026-02-10T11:40:51,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1 2026-02-10T11:40:51,155 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic 2026-02-10T11:40:51,156 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic 2026-02-10T11:40:51,158 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64 2026-02-10T11:40:51,159 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64 2026-02-10T11:40:51,161 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr 2026-02-10T11:40:51,162 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr 2026-02-10T11:40:51,165 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr 2026-02-10T11:40:51,166 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr 2026-02-10T11:40:51,168 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A 2026-02-10T11:40:51,169 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A 2026-02-10T11:40:51,171 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo 2026-02-10T11:40:51,172 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo 2026-02-10T11:40:51,174 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A 2026-02-10T11:40:51,175 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A 2026-02-10T11:40:51,177 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh 2026-02-10T11:40:51,178 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh 2026-02-10T11:40:51,180 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2 2026-02-10T11:40:51,181 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2 2026-02-10T11:40:51,183 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc 2026-02-10T11:40:51,184 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc 2026-02-10T11:40:51,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe 2026-02-10T11:40:51,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe 2026-02-10T11:40:51,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4 2026-02-10T11:40:51,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4 2026-02-10T11:40:51,193 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74 2026-02-10T11:40:51,194 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74 2026-02-10T11:40:51,196 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:40:51,197 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:40:51,199 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:40:51,200 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:40:51,202 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:40:51,203 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:40:51,205 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2 2026-02-10T11:40:51,206 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2 2026-02-10T11:40:51,208 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he 2026-02-10T11:40:51,209 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he 2026-02-10T11:40:51,212 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm 2026-02-10T11:40:51,213 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm 2026-02-10T11:40:51,215 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s 2026-02-10T11:40:51,216 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s 2026-02-10T11:40:51,218 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf 2026-02-10T11:40:51,219 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf 2026-02-10T11:40:51,221 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3 2026-02-10T11:40:51,222 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3 2026-02-10T11:40:51,224 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots 2026-02-10T11:40:51,225 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots 2026-02-10T11:40:51,227 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+ 2026-02-10T11:40:51,228 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+ 2026-02-10T11:40:51,230 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21 2026-02-10T11:40:51,231 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21 2026-02-10T11:40:51,233 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3 2026-02-10T11:40:51,234 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3 2026-02-10T11:40:51,236 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:40:51,237 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:40:51,239 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18 2026-02-10T11:40:51,240 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18 2026-02-10T11:40:51,243 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20 2026-02-10T11:40:51,244 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20 2026-02-10T11:40:51,246 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34 2026-02-10T11:40:51,247 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34 2026-02-10T11:40:51,249 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13 2026-02-10T11:40:51,250 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13 2026-02-10T11:40:51,252 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:40:51,253 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:40:51,255 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:40:51,256 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:40:51,259 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:40:51,260 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:40:51,262 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b 2026-02-10T11:40:51,263 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b 2026-02-10T11:40:51,265 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O 2026-02-10T11:40:51,266 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O 2026-02-10T11:40:51,269 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2 2026-02-10T11:40:51,270 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2 2026-02-10T11:40:51,272 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76 2026-02-10T11:40:51,273 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76 2026-02-10T11:40:51,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A 2026-02-10T11:40:51,276 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A 2026-02-10T11:40:51,278 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2 2026-02-10T11:40:51,279 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2 2026-02-10T11:40:51,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+ 2026-02-10T11:40:51,282 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+ 2026-02-10T11:40:51,284 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:40:51,285 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:40:51,287 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs 2026-02-10T11:40:51,288 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs 2026-02-10T11:40:51,290 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B 2026-02-10T11:40:51,291 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B 2026-02-10T11:40:51,293 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17 2026-02-10T11:40:51,294 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17 2026-02-10T11:40:51,297 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48 2026-02-10T11:40:51,298 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48 2026-02-10T11:40:51,300 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1 2026-02-10T11:40:51,301 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1 2026-02-10T11:40:51,303 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p 2026-02-10T11:40:51,304 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p 2026-02-10T11:40:51,307 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45 2026-02-10T11:40:51,308 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45 2026-02-10T11:40:51,310 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH 2026-02-10T11:40:51,311 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH 2026-02-10T11:40:51,313 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20 2026-02-10T11:40:51,314 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20 2026-02-10T11:40:51,316 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o 2026-02-10T11:40:51,317 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o 2026-02-10T11:40:51,319 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh 2026-02-10T11:40:51,320 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh 2026-02-10T11:40:51,322 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be 2026-02-10T11:40:51,323 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be 2026-02-10T11:40:51,326 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20 2026-02-10T11:40:51,327 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20 2026-02-10T11:40:51,329 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3 2026-02-10T11:40:51,330 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3 2026-02-10T11:40:51,332 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1 2026-02-10T11:40:51,333 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1 2026-02-10T11:40:51,335 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S 2026-02-10T11:40:51,336 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S 2026-02-10T11:40:51,339 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80 2026-02-10T11:40:51,340 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80 2026-02-10T11:40:51,342 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf 2026-02-10T11:40:51,343 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf 2026-02-10T11:40:51,345 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14 2026-02-10T11:40:51,346 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14 2026-02-10T11:40:51,349 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59 2026-02-10T11:40:51,350 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59 2026-02-10T11:40:51,352 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3 2026-02-10T11:40:51,353 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3 2026-02-10T11:40:51,355 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02 2026-02-10T11:40:51,356 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02 2026-02-10T11:40:51,358 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:40:51,359 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:40:51,362 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A 2026-02-10T11:40:51,363 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A 2026-02-10T11:40:51,365 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl 2026-02-10T11:40:51,366 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl 2026-02-10T11:40:51,368 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73 2026-02-10T11:40:51,369 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73 2026-02-10T11:40:51,371 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo 2026-02-10T11:40:51,372 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo 2026-02-10T11:40:51,374 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco 2026-02-10T11:40:51,375 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco 2026-02-10T11:40:51,378 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao 2026-02-10T11:40:51,379 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao 2026-02-10T11:40:51,381 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B 2026-02-10T11:40:51,382 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B 2026-02-10T11:40:51,384 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si 2026-02-10T11:40:51,385 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si 2026-02-10T11:40:51,387 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A 2026-02-10T11:40:51,388 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A 2026-02-10T11:40:51,390 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p 2026-02-10T11:40:51,391 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p 2026-02-10T11:40:51,393 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:40:51,394 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:40:51,396 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:40:51,397 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:40:51,399 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h 2026-02-10T11:40:51,400 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h 2026-02-10T11:40:51,402 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:40:51,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:40:51,405 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca 2026-02-10T11:40:51,406 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca 2026-02-10T11:40:51,408 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2 2026-02-10T11:40:51,409 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2 2026-02-10T11:40:51,411 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4 2026-02-10T11:40:51,412 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4 2026-02-10T11:40:51,414 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:40:51,415 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:40:51,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2 2026-02-10T11:40:51,419 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2 2026-02-10T11:40:51,421 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne 2026-02-10T11:40:51,422 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne 2026-02-10T11:40:51,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A 2026-02-10T11:40:51,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A 2026-02-10T11:40:51,427 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B 2026-02-10T11:40:51,428 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B 2026-02-10T11:40:51,430 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25 2026-02-10T11:40:51,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25 2026-02-10T11:40:51,433 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20 2026-02-10T11:40:51,434 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20 2026-02-10T11:40:51,436 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s 2026-02-10T11:40:51,437 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s 2026-02-10T11:40:51,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B 2026-02-10T11:40:51,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B 2026-02-10T11:40:51,443 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4 2026-02-10T11:40:51,444 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4 2026-02-10T11:40:51,446 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10 2026-02-10T11:40:51,447 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10 2026-02-10T11:40:51,449 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:40:51,450 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:40:51,452 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k 2026-02-10T11:40:51,453 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k 2026-02-10T11:40:51,455 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg 2026-02-10T11:40:51,456 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg 2026-02-10T11:40:51,458 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67 2026-02-10T11:40:51,459 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67 2026-02-10T11:40:51,461 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:40:51,462 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:40:51,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78 2026-02-10T11:40:51,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78 2026-02-10T11:40:51,468 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43 2026-02-10T11:40:51,469 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43 2026-02-10T11:40:51,471 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts 2026-02-10T11:40:51,472 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts 2026-02-10T11:40:51,474 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A 2026-02-10T11:40:51,475 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A 2026-02-10T11:40:51,477 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3 2026-02-10T11:40:51,478 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3 2026-02-10T11:40:51,480 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25 2026-02-10T11:40:51,482 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25 2026-02-10T11:40:51,484 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:40:51,485 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:40:51,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf 2026-02-10T11:40:51,488 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf 2026-02-10T11:40:51,490 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2 2026-02-10T11:40:51,492 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2 2026-02-10T11:40:51,494 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH 2026-02-10T11:40:51,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH 2026-02-10T11:40:51,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a 2026-02-10T11:40:51,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a 2026-02-10T11:40:51,500 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:40:51,501 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:40:51,503 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B 2026-02-10T11:40:51,504 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B 2026-02-10T11:40:51,506 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47 2026-02-10T11:40:51,507 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47 2026-02-10T11:40:51,509 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4 2026-02-10T11:40:51,510 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4 2026-02-10T11:40:51,513 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+ 2026-02-10T11:40:51,514 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+ 2026-02-10T11:40:51,516 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6 2026-02-10T11:40:51,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6 2026-02-10T11:40:51,519 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B 2026-02-10T11:40:51,520 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B 2026-02-10T11:40:51,522 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f 2026-02-10T11:40:51,523 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f 2026-02-10T11:40:51,525 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:40:51,526 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:40:51,528 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A 2026-02-10T11:40:51,529 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A 2026-02-10T11:40:51,531 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s 2026-02-10T11:40:51,532 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s 2026-02-10T11:40:51,534 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar 2026-02-10T11:40:51,536 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar 2026-02-10T11:40:51,538 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2 2026-02-10T11:40:51,539 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2 2026-02-10T11:40:51,541 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:40:51,542 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:40:51,544 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s 2026-02-10T11:40:51,546 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s 2026-02-10T11:40:51,548 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl 2026-02-10T11:40:51,549 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl 2026-02-10T11:40:51,551 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40 2026-02-10T11:40:51,552 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40 2026-02-10T11:40:51,554 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:40:51,556 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:40:51,558 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b 2026-02-10T11:40:51,559 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b 2026-02-10T11:40:51,561 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:40:51,562 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:40:51,564 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12 2026-02-10T11:40:51,565 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12 2026-02-10T11:40:51,567 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh 2026-02-10T11:40:51,568 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh 2026-02-10T11:40:51,570 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B 2026-02-10T11:40:51,571 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B 2026-02-10T11:40:51,574 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71 2026-02-10T11:40:51,575 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71 2026-02-10T11:40:51,577 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5 2026-02-10T11:40:51,578 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5 2026-02-10T11:40:51,580 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24 2026-02-10T11:40:51,581 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24 2026-02-10T11:40:51,583 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2 2026-02-10T11:40:51,585 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2 2026-02-10T11:40:51,587 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts 2026-02-10T11:40:51,588 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts 2026-02-10T11:40:51,590 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2 2026-02-10T11:40:51,591 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2 2026-02-10T11:40:51,593 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:40:51,594 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:40:51,597 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr 2026-02-10T11:40:51,598 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr 2026-02-10T11:40:51,600 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c 2026-02-10T11:40:51,601 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c 2026-02-10T11:40:51,603 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2 2026-02-10T11:40:51,604 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2 2026-02-10T11:40:51,606 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f 2026-02-10T11:40:51,607 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f 2026-02-10T11:40:51,609 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn 2026-02-10T11:40:51,610 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn 2026-02-10T11:40:51,612 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:40:51,613 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:40:51,616 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+ 2026-02-10T11:40:51,617 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+ 2026-02-10T11:40:51,619 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3 2026-02-10T11:40:51,620 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3 2026-02-10T11:40:51,622 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2 2026-02-10T11:40:51,623 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2 2026-02-10T11:40:51,625 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+ 2026-02-10T11:40:51,626 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+ 2026-02-10T11:40:51,628 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39 2026-02-10T11:40:51,629 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39 2026-02-10T11:40:51,632 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4 2026-02-10T11:40:51,633 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4 2026-02-10T11:40:51,635 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al 2026-02-10T11:40:51,636 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al 2026-02-10T11:40:51,638 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:40:51,639 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:40:51,641 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn 2026-02-10T11:40:51,642 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn 2026-02-10T11:40:51,644 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68 2026-02-10T11:40:51,645 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68 2026-02-10T11:40:51,647 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl 2026-02-10T11:40:51,648 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl 2026-02-10T11:40:51,651 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58 2026-02-10T11:40:51,652 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58 2026-02-10T11:40:51,654 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:40:51,655 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:40:51,657 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:40:51,660 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:40:51,663 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:40:51,664 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:40:51,667 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8 2026-02-10T11:40:51,668 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8 2026-02-10T11:40:51,670 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:40:51,672 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:40:51,674 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp 2026-02-10T11:40:51,675 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp 2026-02-10T11:40:51,677 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2 2026-02-10T11:40:51,678 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2 2026-02-10T11:40:51,680 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2 2026-02-10T11:40:51,681 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2 2026-02-10T11:40:51,683 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:40:51,684 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:40:51,686 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:40:51,688 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:40:51,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:40:51,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:40:51,693 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s 2026-02-10T11:40:51,694 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s 2026-02-10T11:40:51,696 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3 2026-02-10T11:40:51,697 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3 2026-02-10T11:40:51,700 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:40:51,701 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:40:51,703 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s 2026-02-10T11:40:51,704 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s 2026-02-10T11:40:51,706 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:40:51,707 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:40:51,710 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3 2026-02-10T11:40:51,711 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3 2026-02-10T11:40:51,713 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3 2026-02-10T11:40:51,715 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3 2026-02-10T11:40:51,717 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:40:51,719 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:40:51,722 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:40:51,723 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:40:51,725 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:40:51,726 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:40:51,728 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3 2026-02-10T11:40:51,729 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3 2026-02-10T11:40:51,731 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:40:51,732 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:40:51,734 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:40:51,735 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:40:51,737 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:40:51,738 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:40:51,740 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:40:51,741 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:40:51,743 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:40:51,744 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:40:51,746 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3 2026-02-10T11:40:51,747 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3 2026-02-10T11:40:51,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3 2026-02-10T11:40:51,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3 2026-02-10T11:40:51,753 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:40:51,754 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:40:51,756 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:40:51,757 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:40:51,760 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s 2026-02-10T11:40:51,761 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s 2026-02-10T11:40:51,763 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:40:51,764 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:40:51,766 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2 2026-02-10T11:40:51,767 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2 2026-02-10T11:40:51,769 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:40:51,770 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:40:51,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:40:51,774 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:40:51,776 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:40:51,777 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:40:51,779 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22 2026-02-10T11:40:51,780 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22 2026-02-10T11:40:51,783 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX 2026-02-10T11:40:51,785 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX 2026-02-10T11:40:51,787 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:40:51,788 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:40:51,790 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:40:51,791 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:40:51,793 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:40:51,794 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:40:51,796 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg 2026-02-10T11:40:51,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg 2026-02-10T11:40:51,799 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T 2026-02-10T11:40:51,800 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T 2026-02-10T11:40:51,802 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt 2026-02-10T11:40:51,803 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt 2026-02-10T11:40:51,806 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG 2026-02-10T11:40:51,807 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG 2026-02-10T11:40:51,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:40:51,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:40:51,812 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt 2026-02-10T11:40:51,813 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt 2026-02-10T11:40:51,815 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:40:51,816 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:40:51,819 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg 2026-02-10T11:40:51,820 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg 2026-02-10T11:40:51,822 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt 2026-02-10T11:40:51,823 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt 2026-02-10T11:40:51,825 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G 2026-02-10T11:40:51,826 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G 2026-02-10T11:40:51,828 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG 2026-02-10T11:40:51,829 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG 2026-02-10T11:40:51,832 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg 2026-02-10T11:40:51,833 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg 2026-02-10T11:40:51,835 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT 2026-02-10T11:40:51,836 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT 2026-02-10T11:40:51,838 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:40:51,839 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:40:51,841 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1 2026-02-10T11:40:51,843 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1 2026-02-10T11:40:51,846 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10 2026-02-10T11:40:51,847 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10 2026-02-10T11:40:51,850 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5 2026-02-10T11:40:51,851 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5 2026-02-10T11:40:51,853 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7 2026-02-10T11:40:51,854 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7 2026-02-10T11:40:51,856 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6 2026-02-10T11:40:51,857 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6 2026-02-10T11:40:51,859 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15 2026-02-10T11:40:51,860 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15 2026-02-10T11:40:51,862 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6 2026-02-10T11:40:51,863 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6 2026-02-10T11:40:51,867 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16 2026-02-10T11:40:51,868 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16 2026-02-10T11:40:51,870 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5 2026-02-10T11:40:51,871 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5 2026-02-10T11:40:51,881 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4 2026-02-10T11:40:51,882 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4 2026-02-10T11:40:51,884 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2 2026-02-10T11:40:51,885 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2 2026-02-10T11:40:51,887 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4 2026-02-10T11:40:51,888 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4 2026-02-10T11:40:51,890 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7 2026-02-10T11:40:51,891 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7 2026-02-10T11:40:51,893 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4 2026-02-10T11:40:51,894 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4 2026-02-10T11:40:51,897 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8 2026-02-10T11:40:51,898 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8 2026-02-10T11:40:51,900 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10 2026-02-10T11:40:51,901 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10 2026-02-10T11:40:51,903 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11 2026-02-10T11:40:51,904 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11 2026-02-10T11:40:51,906 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14 2026-02-10T11:40:51,907 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14 2026-02-10T11:40:51,910 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9 2026-02-10T11:40:51,910 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9 2026-02-10T11:40:51,912 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6 2026-02-10T11:40:51,913 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6 2026-02-10T11:40:51,916 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3 2026-02-10T11:40:51,916 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3 2026-02-10T11:40:51,919 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14 2026-02-10T11:40:51,920 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14 2026-02-10T11:40:51,922 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15 2026-02-10T11:40:51,923 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15 2026-02-10T11:40:51,925 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12 2026-02-10T11:40:51,926 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12 2026-02-10T11:40:51,928 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13 2026-02-10T11:40:51,929 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13 2026-02-10T11:40:51,931 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1 2026-02-10T11:40:51,932 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1 2026-02-10T11:40:51,935 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3 2026-02-10T11:40:51,936 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3 2026-02-10T11:40:51,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4 2026-02-10T11:40:51,939 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4 2026-02-10T11:40:51,941 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11 2026-02-10T11:40:51,942 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11 2026-02-10T11:40:51,944 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3 2026-02-10T11:40:51,945 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3 2026-02-10T11:40:51,947 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1 2026-02-10T11:40:51,948 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1 2026-02-10T11:40:51,951 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12 2026-02-10T11:40:51,952 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12 2026-02-10T11:40:51,954 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5 2026-02-10T11:40:51,955 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5 2026-02-10T11:40:51,957 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2 2026-02-10T11:40:51,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2 2026-02-10T11:40:51,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8 2026-02-10T11:40:51,962 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8 2026-02-10T11:40:51,964 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9 2026-02-10T11:40:51,965 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9 2026-02-10T11:40:51,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13 2026-02-10T11:40:51,968 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13 2026-02-10T11:40:51,970 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2 2026-02-10T11:40:51,971 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2 2026-02-10T11:40:51,973 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2 2026-02-10T11:40:51,975 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2 2026-02-10T11:40:51,977 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9 2026-02-10T11:40:51,978 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9 2026-02-10T11:40:51,980 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6 2026-02-10T11:40:51,981 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6 2026-02-10T11:40:51,983 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1 2026-02-10T11:40:51,984 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1 2026-02-10T11:40:51,986 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2 2026-02-10T11:40:51,987 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2 2026-02-10T11:40:51,989 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1 2026-02-10T11:40:51,990 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1 2026-02-10T11:40:51,992 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7 2026-02-10T11:40:51,993 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7 2026-02-10T11:40:51,995 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10 2026-02-10T11:40:51,996 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10 2026-02-10T11:40:51,998 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5 2026-02-10T11:40:51,999 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5 2026-02-10T11:40:52,001 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4 2026-02-10T11:40:52,002 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4 2026-02-10T11:40:52,005 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10 2026-02-10T11:40:52,006 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10 2026-02-10T11:40:52,008 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9 2026-02-10T11:40:52,009 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9 2026-02-10T11:40:52,011 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3 2026-02-10T11:40:52,012 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3 2026-02-10T11:40:52,014 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5 2026-02-10T11:40:52,015 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5 2026-02-10T11:40:52,017 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4 2026-02-10T11:40:52,018 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4 2026-02-10T11:40:52,020 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7 2026-02-10T11:40:52,021 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7 2026-02-10T11:40:52,024 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8 2026-02-10T11:40:52,025 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8 2026-02-10T11:40:52,027 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8 2026-02-10T11:40:52,028 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8 2026-02-10T11:40:52,030 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6 2026-02-10T11:40:52,031 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6 2026-02-10T11:40:52,033 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3 2026-02-10T11:40:52,034 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3 2026-02-10T11:40:52,036 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:40:52,037 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:40:52,039 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20 2026-02-10T11:40:52,040 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20 2026-02-10T11:40:52,042 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8 2026-02-10T11:40:52,043 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8 2026-02-10T11:40:52,046 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh 2026-02-10T11:40:52,047 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh 2026-02-10T11:40:52,049 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc 2026-02-10T11:40:52,050 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc 2026-02-10T11:40:52,052 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh- 2026-02-10T11:40:52,053 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh- 2026-02-10T11:40:52,055 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19 2026-02-10T11:40:52,056 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19 2026-02-10T11:40:52,058 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:40:52,059 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:40:52,061 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:40:52,062 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:40:52,064 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf 2026-02-10T11:40:52,065 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf 2026-02-10T11:40:52,067 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co 2026-02-10T11:40:52,068 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co 2026-02-10T11:40:52,070 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots 2026-02-10T11:40:52,072 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots 2026-02-10T11:40:52,074 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:40:52,075 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:40:52,077 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07 2026-02-10T11:40:52,078 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07 2026-02-10T11:40:52,080 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:40:52,081 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:40:52,083 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2 2026-02-10T11:40:52,084 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2 2026-02-10T11:40:52,086 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:40:52,087 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:40:52,089 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4 2026-02-10T11:40:52,090 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4 2026-02-10T11:40:52,092 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f- 2026-02-10T11:40:52,093 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f- 2026-02-10T11:40:52,095 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O 2026-02-10T11:40:52,096 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O 2026-02-10T11:40:52,099 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2 2026-02-10T11:40:52,099 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2 2026-02-10T11:40:52,102 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2 2026-02-10T11:40:52,103 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2 2026-02-10T11:40:52,105 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3 2026-02-10T11:40:52,106 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3 2026-02-10T11:40:52,108 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17 2026-02-10T11:40:52,109 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17 2026-02-10T11:40:52,111 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22 2026-02-10T11:40:52,112 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22 2026-02-10T11:40:52,114 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14 2026-02-10T11:40:52,115 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14 2026-02-10T11:40:52,118 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13 2026-02-10T11:40:52,118 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13 2026-02-10T11:40:52,121 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H 2026-02-10T11:40:52,122 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H 2026-02-10T11:40:52,124 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:40:52,125 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:40:52,127 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS 2026-02-10T11:40:52,128 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS 2026-02-10T11:40:52,130 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl- 2026-02-10T11:40:52,131 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl- 2026-02-10T11:40:52,134 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:40:52,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:40:52,137 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S 2026-02-10T11:40:52,138 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S 2026-02-10T11:40:52,140 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf 2026-02-10T11:40:52,140 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf 2026-02-10T11:40:52,143 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04 2026-02-10T11:40:52,143 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04 2026-02-10T11:40:52,146 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3 2026-02-10T11:40:52,147 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3 2026-02-10T11:40:52,149 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02 2026-02-10T11:40:52,150 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02 2026-02-10T11:40:52,152 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco 2026-02-10T11:40:52,153 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco 2026-02-10T11:40:52,155 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16 2026-02-10T11:40:52,156 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16 2026-02-10T11:40:52,158 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h 2026-02-10T11:40:52,159 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h 2026-02-10T11:40:52,161 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18 2026-02-10T11:40:52,162 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18 2026-02-10T11:40:52,164 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:40:52,165 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:40:52,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6 2026-02-10T11:40:52,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6 2026-02-10T11:40:52,170 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:40:52,171 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:40:52,173 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4 2026-02-10T11:40:52,174 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4 2026-02-10T11:40:52,177 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2 2026-02-10T11:40:52,178 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2 2026-02-10T11:40:52,180 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11 2026-02-10T11:40:52,181 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11 2026-02-10T11:40:52,183 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:40:52,184 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:40:52,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:40:52,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:40:52,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01 2026-02-10T11:40:52,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01 2026-02-10T11:40:52,192 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10 2026-02-10T11:40:52,193 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10 2026-02-10T11:40:52,195 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:40:52,196 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:40:52,198 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:40:52,199 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:40:52,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts 2026-02-10T11:40:52,202 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts 2026-02-10T11:40:52,204 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2 2026-02-10T11:40:52,205 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2 2026-02-10T11:40:52,208 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5 2026-02-10T11:40:52,208 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5 2026-02-10T11:40:52,211 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12 2026-02-10T11:40:52,212 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12 2026-02-10T11:40:52,214 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06 2026-02-10T11:40:52,215 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06 2026-02-10T11:40:52,217 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:40:52,218 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:40:52,220 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15 2026-02-10T11:40:52,221 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15 2026-02-10T11:40:52,223 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7 2026-02-10T11:40:52,224 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7 2026-02-10T11:40:52,226 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O 2026-02-10T11:40:52,227 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O 2026-02-10T11:40:52,229 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08 2026-02-10T11:40:52,230 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08 2026-02-10T11:40:52,232 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:40:52,234 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:40:52,236 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05 2026-02-10T11:40:52,237 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05 2026-02-10T11:40:52,239 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:40:52,240 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:40:52,242 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f 2026-02-10T11:40:52,243 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f 2026-02-10T11:40:52,245 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl 2026-02-10T11:40:52,246 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl 2026-02-10T11:40:52,248 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2 2026-02-10T11:40:52,249 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2 2026-02-10T11:40:52,251 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts 2026-02-10T11:40:52,252 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts 2026-02-10T11:40:52,254 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:40:52,255 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:40:52,257 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03 2026-02-10T11:40:52,258 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03 2026-02-10T11:40:52,260 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:40:52,261 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:40:52,263 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:40:52,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:40:52,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts 2026-02-10T11:40:52,268 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts 2026-02-10T11:40:52,270 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2 2026-02-10T11:40:52,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2 2026-02-10T11:40:52,273 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o 2026-02-10T11:40:52,274 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o 2026-02-10T11:40:52,276 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:40:52,277 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:40:52,279 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f 2026-02-10T11:40:52,280 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f 2026-02-10T11:40:52,282 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3 2026-02-10T11:40:52,283 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3 2026-02-10T11:40:52,285 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21 2026-02-10T11:40:52,286 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21 2026-02-10T11:40:52,288 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn 2026-02-10T11:40:52,289 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn 2026-02-10T11:40:52,292 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl 2026-02-10T11:40:52,293 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl 2026-02-10T11:40:52,295 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5 2026-02-10T11:40:52,296 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5 2026-02-10T11:40:52,298 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH 2026-02-10T11:40:52,299 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH 2026-02-10T11:40:52,301 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09 2026-02-10T11:40:52,301 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09 2026-02-10T11:40:52,304 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3 2026-02-10T11:40:52,305 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3 2026-02-10T11:40:52,307 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42 2026-02-10T11:40:52,309 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42 2026-02-10T11:40:52,311 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71 2026-02-10T11:40:52,312 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71 2026-02-10T11:40:52,314 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:40:52,315 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:40:52,317 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0 2026-02-10T11:40:52,318 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0 2026-02-10T11:40:52,320 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42 2026-02-10T11:40:52,321 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42 2026-02-10T11:40:52,323 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42 2026-02-10T11:40:52,324 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42 2026-02-10T11:40:52,327 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3 2026-02-10T11:40:52,328 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3 2026-02-10T11:40:52,330 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:40:52,331 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:40:52,333 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1 2026-02-10T11:40:52,334 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1 2026-02-10T11:40:52,336 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0 2026-02-10T11:40:52,337 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0 2026-02-10T11:40:52,340 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0 2026-02-10T11:40:52,341 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0 2026-02-10T11:40:52,343 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2 2026-02-10T11:40:52,344 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2 2026-02-10T11:40:52,346 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4 2026-02-10T11:40:52,347 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4 2026-02-10T11:40:52,350 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43 2026-02-10T11:40:52,350 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43 2026-02-10T11:40:52,353 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71 2026-02-10T11:40:52,354 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71 2026-02-10T11:40:52,356 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:40:52,357 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:40:52,359 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2 2026-02-10T11:40:52,360 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2 2026-02-10T11:40:52,362 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41 2026-02-10T11:40:52,363 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41 2026-02-10T11:40:52,365 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72 2026-02-10T11:40:52,366 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72 2026-02-10T11:40:52,368 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1 2026-02-10T11:40:52,369 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1 2026-02-10T11:40:52,371 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72 2026-02-10T11:40:52,372 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72 2026-02-10T11:40:52,374 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41 2026-02-10T11:40:52,375 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41 2026-02-10T11:40:52,377 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2 2026-02-10T11:40:52,378 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2 2026-02-10T11:40:52,380 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1 2026-02-10T11:40:52,382 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1 2026-02-10T11:40:52,384 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41 2026-02-10T11:40:52,385 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41 2026-02-10T11:40:52,387 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3 2026-02-10T11:40:52,388 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3 2026-02-10T11:40:52,390 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2 2026-02-10T11:40:52,391 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2 2026-02-10T11:40:52,393 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0 2026-02-10T11:40:52,394 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0 2026-02-10T11:40:52,396 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0 2026-02-10T11:40:52,397 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0 2026-02-10T11:40:52,400 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2 2026-02-10T11:40:52,401 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2 2026-02-10T11:40:52,403 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A 2026-02-10T11:40:52,404 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A 2026-02-10T11:40:52,406 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B 2026-02-10T11:40:52,407 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B 2026-02-10T11:40:52,409 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B 2026-02-10T11:40:52,410 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B 2026-02-10T11:40:52,412 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A 2026-02-10T11:40:52,413 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A 2026-02-10T11:40:52,415 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07 2026-02-10T11:40:52,416 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07 2026-02-10T11:40:52,418 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A 2026-02-10T11:40:52,419 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A 2026-02-10T11:40:52,421 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A 2026-02-10T11:40:52,422 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A 2026-02-10T11:40:52,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B 2026-02-10T11:40:52,426 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B 2026-02-10T11:40:52,428 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A 2026-02-10T11:40:52,429 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A 2026-02-10T11:40:52,431 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A 2026-02-10T11:40:52,432 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A 2026-02-10T11:40:52,434 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B 2026-02-10T11:40:52,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B 2026-02-10T11:40:52,437 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B 2026-02-10T11:40:52,438 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B 2026-02-10T11:40:52,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36 2026-02-10T11:40:52,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36 2026-02-10T11:40:52,444 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B 2026-02-10T11:40:52,445 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B 2026-02-10T11:40:52,447 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02 2026-02-10T11:40:52,448 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02 2026-02-10T11:40:52,450 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B 2026-02-10T11:40:52,451 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B 2026-02-10T11:40:52,453 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A 2026-02-10T11:40:52,454 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A 2026-02-10T11:40:52,457 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A 2026-02-10T11:40:52,458 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A 2026-02-10T11:40:52,460 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B 2026-02-10T11:40:52,461 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B 2026-02-10T11:40:52,463 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64 2026-02-10T11:40:52,464 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64 2026-02-10T11:40:52,466 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A 2026-02-10T11:40:52,467 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A 2026-02-10T11:40:52,469 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12 2026-02-10T11:40:52,470 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12 2026-02-10T11:40:52,472 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A 2026-02-10T11:40:52,473 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A 2026-02-10T11:40:52,475 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A 2026-02-10T11:40:52,476 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A 2026-02-10T11:40:52,478 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A 2026-02-10T11:40:52,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A 2026-02-10T11:40:52,481 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B 2026-02-10T11:40:52,482 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B 2026-02-10T11:40:52,485 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B 2026-02-10T11:40:52,486 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B 2026-02-10T11:40:52,488 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B 2026-02-10T11:40:52,489 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B 2026-02-10T11:40:52,491 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A 2026-02-10T11:40:52,492 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A 2026-02-10T11:40:52,494 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27 2026-02-10T11:40:52,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27 2026-02-10T11:40:52,498 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A 2026-02-10T11:40:52,499 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A 2026-02-10T11:40:52,501 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18 2026-02-10T11:40:52,502 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18 2026-02-10T11:40:52,504 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B 2026-02-10T11:40:52,505 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B 2026-02-10T11:40:52,507 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A 2026-02-10T11:40:52,508 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A 2026-02-10T11:40:52,510 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A 2026-02-10T11:40:52,511 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A 2026-02-10T11:40:52,513 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34 2026-02-10T11:40:52,514 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34 2026-02-10T11:40:52,517 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13 2026-02-10T11:40:52,518 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13 2026-02-10T11:40:52,520 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A 2026-02-10T11:40:52,521 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A 2026-02-10T11:40:52,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62 2026-02-10T11:40:52,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62 2026-02-10T11:40:52,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A 2026-02-10T11:40:52,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A 2026-02-10T11:40:52,529 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B 2026-02-10T11:40:52,530 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B 2026-02-10T11:40:52,532 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B 2026-02-10T11:40:52,533 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B 2026-02-10T11:40:52,535 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A 2026-02-10T11:40:52,536 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A 2026-02-10T11:40:52,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B 2026-02-10T11:40:52,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B 2026-02-10T11:40:52,542 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A 2026-02-10T11:40:52,543 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A 2026-02-10T11:40:52,545 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A 2026-02-10T11:40:52,546 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A 2026-02-10T11:40:52,548 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B 2026-02-10T11:40:52,549 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B 2026-02-10T11:40:52,551 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48 2026-02-10T11:40:52,552 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48 2026-02-10T11:40:52,554 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B 2026-02-10T11:40:52,555 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B 2026-02-10T11:40:52,557 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45 2026-02-10T11:40:52,558 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45 2026-02-10T11:40:52,560 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46 2026-02-10T11:40:52,561 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46 2026-02-10T11:40:52,563 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B 2026-02-10T11:40:52,564 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B 2026-02-10T11:40:52,566 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A 2026-02-10T11:40:52,567 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A 2026-02-10T11:40:52,569 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66 2026-02-10T11:40:52,570 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66 2026-02-10T11:40:52,572 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B 2026-02-10T11:40:52,573 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B 2026-02-10T11:40:52,576 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38 2026-02-10T11:40:52,577 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38 2026-02-10T11:40:52,579 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49 2026-02-10T11:40:52,580 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49 2026-02-10T11:40:52,582 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A 2026-02-10T11:40:52,583 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A 2026-02-10T11:40:52,585 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A 2026-02-10T11:40:52,586 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A 2026-02-10T11:40:52,588 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A 2026-02-10T11:40:52,589 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A 2026-02-10T11:40:52,591 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05 2026-02-10T11:40:52,592 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05 2026-02-10T11:40:52,595 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20 2026-02-10T11:40:52,595 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20 2026-02-10T11:40:52,598 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01 2026-02-10T11:40:52,599 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01 2026-02-10T11:40:52,601 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A 2026-02-10T11:40:52,602 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A 2026-02-10T11:40:52,604 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55 2026-02-10T11:40:52,605 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55 2026-02-10T11:40:52,607 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A 2026-02-10T11:40:52,608 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A 2026-02-10T11:40:52,610 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61 2026-02-10T11:40:52,611 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61 2026-02-10T11:40:52,614 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B 2026-02-10T11:40:52,615 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B 2026-02-10T11:40:52,617 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A 2026-02-10T11:40:52,618 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A 2026-02-10T11:40:52,620 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B 2026-02-10T11:40:52,621 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B 2026-02-10T11:40:52,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59 2026-02-10T11:40:52,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59 2026-02-10T11:40:52,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08 2026-02-10T11:40:52,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08 2026-02-10T11:40:52,630 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B 2026-02-10T11:40:52,631 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B 2026-02-10T11:40:52,633 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B 2026-02-10T11:40:52,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B 2026-02-10T11:40:52,637 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A 2026-02-10T11:40:52,638 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A 2026-02-10T11:40:52,640 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B 2026-02-10T11:40:52,641 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B 2026-02-10T11:40:52,643 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A 2026-02-10T11:40:52,644 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A 2026-02-10T11:40:52,646 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B 2026-02-10T11:40:52,647 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B 2026-02-10T11:40:52,649 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41 2026-02-10T11:40:52,650 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41 2026-02-10T11:40:52,653 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63 2026-02-10T11:40:52,654 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63 2026-02-10T11:40:52,656 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B 2026-02-10T11:40:52,657 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B 2026-02-10T11:40:52,659 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B 2026-02-10T11:40:52,660 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B 2026-02-10T11:40:52,662 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B 2026-02-10T11:40:52,663 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B 2026-02-10T11:40:52,665 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B 2026-02-10T11:40:52,666 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B 2026-02-10T11:40:52,668 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04 2026-02-10T11:40:52,669 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04 2026-02-10T11:40:52,672 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A 2026-02-10T11:40:52,673 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A 2026-02-10T11:40:52,675 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A 2026-02-10T11:40:52,676 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A 2026-02-10T11:40:52,678 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16 2026-02-10T11:40:52,679 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16 2026-02-10T11:40:52,681 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A 2026-02-10T11:40:52,682 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A 2026-02-10T11:40:52,684 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B 2026-02-10T11:40:52,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B 2026-02-10T11:40:52,688 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B 2026-02-10T11:40:52,689 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B 2026-02-10T11:40:52,691 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A 2026-02-10T11:40:52,692 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A 2026-02-10T11:40:52,694 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B 2026-02-10T11:40:52,695 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B 2026-02-10T11:40:52,697 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A 2026-02-10T11:40:52,698 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A 2026-02-10T11:40:52,700 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B 2026-02-10T11:40:52,701 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B 2026-02-10T11:40:52,703 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A 2026-02-10T11:40:52,704 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A 2026-02-10T11:40:52,706 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44 2026-02-10T11:40:52,707 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44 2026-02-10T11:40:52,709 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A 2026-02-10T11:40:52,710 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A 2026-02-10T11:40:52,713 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B 2026-02-10T11:40:52,713 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B 2026-02-10T11:40:52,716 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A 2026-02-10T11:40:52,717 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A 2026-02-10T11:40:52,719 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25 2026-02-10T11:40:52,720 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25 2026-02-10T11:40:52,722 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30 2026-02-10T11:40:52,723 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30 2026-02-10T11:40:52,725 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54 2026-02-10T11:40:52,726 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54 2026-02-10T11:40:52,728 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B 2026-02-10T11:40:52,729 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B 2026-02-10T11:40:52,732 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B 2026-02-10T11:40:52,733 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B 2026-02-10T11:40:52,735 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A 2026-02-10T11:40:52,736 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A 2026-02-10T11:40:52,738 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B 2026-02-10T11:40:52,739 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B 2026-02-10T11:40:52,741 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B 2026-02-10T11:40:52,742 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B 2026-02-10T11:40:52,745 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B 2026-02-10T11:40:52,746 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B 2026-02-10T11:40:52,748 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A 2026-02-10T11:40:52,749 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A 2026-02-10T11:40:52,751 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B 2026-02-10T11:40:52,752 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B 2026-02-10T11:40:52,754 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53 2026-02-10T11:40:52,755 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53 2026-02-10T11:40:52,758 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B 2026-02-10T11:40:52,759 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B 2026-02-10T11:40:52,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B 2026-02-10T11:40:52,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B 2026-02-10T11:40:52,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B 2026-02-10T11:40:52,765 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B 2026-02-10T11:40:52,767 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43 2026-02-10T11:40:52,768 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43 2026-02-10T11:40:52,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57 2026-02-10T11:40:52,771 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57 2026-02-10T11:40:52,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B 2026-02-10T11:40:52,774 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B 2026-02-10T11:40:52,776 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56 2026-02-10T11:40:52,777 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56 2026-02-10T11:40:52,779 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09 2026-02-10T11:40:52,780 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09 2026-02-10T11:40:52,782 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37 2026-02-10T11:40:52,783 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37 2026-02-10T11:40:52,786 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22 2026-02-10T11:40:52,787 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22 2026-02-10T11:40:52,789 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A 2026-02-10T11:40:52,790 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A 2026-02-10T11:40:52,793 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A 2026-02-10T11:40:52,794 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A 2026-02-10T11:40:52,796 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A 2026-02-10T11:40:52,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A 2026-02-10T11:40:52,799 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A 2026-02-10T11:40:52,800 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A 2026-02-10T11:40:52,802 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23 2026-02-10T11:40:52,803 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23 2026-02-10T11:40:52,806 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B 2026-02-10T11:40:52,807 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B 2026-02-10T11:40:52,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A 2026-02-10T11:40:52,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A 2026-02-10T11:40:52,812 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A 2026-02-10T11:40:52,813 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A 2026-02-10T11:40:52,815 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A 2026-02-10T11:40:52,816 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A 2026-02-10T11:40:52,819 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A 2026-02-10T11:40:52,820 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A 2026-02-10T11:40:52,823 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A 2026-02-10T11:40:52,824 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A 2026-02-10T11:40:52,827 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B 2026-02-10T11:40:52,828 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B 2026-02-10T11:40:52,830 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A 2026-02-10T11:40:52,831 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A 2026-02-10T11:40:52,833 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10 2026-02-10T11:40:52,834 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10 2026-02-10T11:40:52,836 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47 2026-02-10T11:40:52,837 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47 2026-02-10T11:40:52,839 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06 2026-02-10T11:40:52,840 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06 2026-02-10T11:40:52,843 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28 2026-02-10T11:40:52,844 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28 2026-02-10T11:40:52,846 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B 2026-02-10T11:40:52,847 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B 2026-02-10T11:40:52,849 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26 2026-02-10T11:40:52,850 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26 2026-02-10T11:40:52,853 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A 2026-02-10T11:40:52,854 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A 2026-02-10T11:40:52,856 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A 2026-02-10T11:40:52,857 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A 2026-02-10T11:40:52,859 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A 2026-02-10T11:40:52,860 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A 2026-02-10T11:40:52,862 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40 2026-02-10T11:40:52,863 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40 2026-02-10T11:40:52,866 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50 2026-02-10T11:40:52,867 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50 2026-02-10T11:40:52,869 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A 2026-02-10T11:40:52,870 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A 2026-02-10T11:40:52,873 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B 2026-02-10T11:40:52,874 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B 2026-02-10T11:40:52,876 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51 2026-02-10T11:40:52,877 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51 2026-02-10T11:40:52,880 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B 2026-02-10T11:40:52,880 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B 2026-02-10T11:40:52,883 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11 2026-02-10T11:40:52,884 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11 2026-02-10T11:40:52,886 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32 2026-02-10T11:40:52,887 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32 2026-02-10T11:40:52,889 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B 2026-02-10T11:40:52,890 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B 2026-02-10T11:40:52,892 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A 2026-02-10T11:40:52,893 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A 2026-02-10T11:40:52,895 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B 2026-02-10T11:40:52,896 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B 2026-02-10T11:40:52,899 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A 2026-02-10T11:40:52,900 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A 2026-02-10T11:40:52,902 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24 2026-02-10T11:40:52,903 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24 2026-02-10T11:40:52,906 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A 2026-02-10T11:40:52,908 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A 2026-02-10T11:40:52,910 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15 2026-02-10T11:40:52,911 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15 2026-02-10T11:40:52,914 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B 2026-02-10T11:40:52,915 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B 2026-02-10T11:40:52,917 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B 2026-02-10T11:40:52,918 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B 2026-02-10T11:40:52,921 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B 2026-02-10T11:40:52,922 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B 2026-02-10T11:40:52,924 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03 2026-02-10T11:40:52,925 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03 2026-02-10T11:40:52,927 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A 2026-02-10T11:40:52,928 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A 2026-02-10T11:40:52,931 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17 2026-02-10T11:40:52,931 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17 2026-02-10T11:40:52,934 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B 2026-02-10T11:40:52,935 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B 2026-02-10T11:40:52,937 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B 2026-02-10T11:40:52,938 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B 2026-02-10T11:40:52,940 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21 2026-02-10T11:40:52,941 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21 2026-02-10T11:40:52,943 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A 2026-02-10T11:40:52,944 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A 2026-02-10T11:40:52,947 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A 2026-02-10T11:40:52,947 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A 2026-02-10T11:40:52,950 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B 2026-02-10T11:40:52,950 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B 2026-02-10T11:40:52,953 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B 2026-02-10T11:40:52,954 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B 2026-02-10T11:40:52,956 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B 2026-02-10T11:40:52,957 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B 2026-02-10T11:40:52,959 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60 2026-02-10T11:40:52,960 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60 2026-02-10T11:40:52,962 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A 2026-02-10T11:40:52,963 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A 2026-02-10T11:40:52,965 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52 2026-02-10T11:40:52,966 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52 2026-02-10T11:40:52,968 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42 2026-02-10T11:40:52,969 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42 2026-02-10T11:40:52,972 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A 2026-02-10T11:40:52,973 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A 2026-02-10T11:40:52,975 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39 2026-02-10T11:40:52,976 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39 2026-02-10T11:40:52,978 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35 2026-02-10T11:40:52,979 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35 2026-02-10T11:40:52,981 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B 2026-02-10T11:40:52,982 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B 2026-02-10T11:40:52,984 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14 2026-02-10T11:40:52,985 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14 2026-02-10T11:40:52,988 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B 2026-02-10T11:40:52,989 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B 2026-02-10T11:40:52,991 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B 2026-02-10T11:40:52,992 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B 2026-02-10T11:40:52,994 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19 2026-02-10T11:40:52,996 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19 2026-02-10T11:40:52,999 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33 2026-02-10T11:40:53,000 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33 2026-02-10T11:40:53,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A 2026-02-10T11:40:53,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A 2026-02-10T11:40:53,006 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B 2026-02-10T11:40:53,007 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B 2026-02-10T11:40:53,009 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B 2026-02-10T11:40:53,010 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B 2026-02-10T11:40:53,012 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65 2026-02-10T11:40:53,013 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65 2026-02-10T11:40:53,015 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58 2026-02-10T11:40:53,016 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58 2026-02-10T11:40:53,018 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29 2026-02-10T11:40:53,019 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29 2026-02-10T11:40:53,022 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A 2026-02-10T11:40:53,023 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A 2026-02-10T11:40:53,025 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B 2026-02-10T11:40:53,026 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B 2026-02-10T11:40:53,028 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A 2026-02-10T11:40:53,029 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A 2026-02-10T11:40:53,031 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B 2026-02-10T11:40:53,032 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B 2026-02-10T11:40:53,035 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A 2026-02-10T11:40:53,036 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A 2026-02-10T11:40:53,038 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31 2026-02-10T11:40:53,039 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31 2026-02-10T11:40:53,041 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228 2026-02-10T11:40:53,043 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228 2026-02-10T11:40:53,045 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A 2026-02-10T11:40:53,046 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A 2026-02-10T11:40:53,049 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A 2026-02-10T11:40:53,050 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A 2026-02-10T11:40:53,053 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A 2026-02-10T11:40:53,055 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A 2026-02-10T11:40:53,059 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231 2026-02-10T11:40:53,060 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231 2026-02-10T11:40:53,064 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214 2026-02-10T11:40:53,065 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214 2026-02-10T11:40:53,067 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212 2026-02-10T11:40:53,068 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212 2026-02-10T11:40:53,070 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230 2026-02-10T11:40:53,072 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230 2026-02-10T11:40:53,074 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B 2026-02-10T11:40:53,075 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B 2026-02-10T11:40:53,077 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187 2026-02-10T11:40:53,078 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187 2026-02-10T11:40:53,080 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147 2026-02-10T11:40:53,081 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147 2026-02-10T11:40:53,083 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213 2026-02-10T11:40:53,084 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213 2026-02-10T11:40:53,087 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B 2026-02-10T11:40:53,088 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B 2026-02-10T11:40:53,090 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A 2026-02-10T11:40:53,091 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A 2026-02-10T11:40:53,093 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A 2026-02-10T11:40:53,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A 2026-02-10T11:40:53,097 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A 2026-02-10T11:40:53,098 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A 2026-02-10T11:40:53,100 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B 2026-02-10T11:40:53,101 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B 2026-02-10T11:40:53,103 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A 2026-02-10T11:40:53,105 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A 2026-02-10T11:40:53,107 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A 2026-02-10T11:40:53,108 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A 2026-02-10T11:40:53,110 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148 2026-02-10T11:40:53,111 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148 2026-02-10T11:40:53,113 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150 2026-02-10T11:40:53,114 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150 2026-02-10T11:40:53,117 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229 2026-02-10T11:40:53,118 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229 2026-02-10T11:40:53,120 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B 2026-02-10T11:40:53,121 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B 2026-02-10T11:40:53,123 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B 2026-02-10T11:40:53,124 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B 2026-02-10T11:40:53,126 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B 2026-02-10T11:40:53,127 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B 2026-02-10T11:40:53,129 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A 2026-02-10T11:40:53,130 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A 2026-02-10T11:40:53,132 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008 2026-02-10T11:40:53,133 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008 2026-02-10T11:40:53,135 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B 2026-02-10T11:40:53,136 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B 2026-02-10T11:40:53,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202 2026-02-10T11:40:53,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202 2026-02-10T11:40:53,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B 2026-02-10T11:40:53,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B 2026-02-10T11:40:53,144 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152 2026-02-10T11:40:53,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152 2026-02-10T11:40:53,147 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A 2026-02-10T11:40:53,148 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A 2026-02-10T11:40:53,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B 2026-02-10T11:40:53,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B 2026-02-10T11:40:53,154 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227 2026-02-10T11:40:53,155 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227 2026-02-10T11:40:53,157 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A 2026-02-10T11:40:53,158 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A 2026-02-10T11:40:53,161 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A 2026-02-10T11:40:53,163 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A 2026-02-10T11:40:53,165 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B 2026-02-10T11:40:53,166 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B 2026-02-10T11:40:53,169 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B 2026-02-10T11:40:53,170 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B 2026-02-10T11:40:53,172 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A 2026-02-10T11:40:53,173 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A 2026-02-10T11:40:53,175 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B 2026-02-10T11:40:53,176 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B 2026-02-10T11:40:53,178 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144 2026-02-10T11:40:53,179 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144 2026-02-10T11:40:53,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B 2026-02-10T11:40:53,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B 2026-02-10T11:40:53,185 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B 2026-02-10T11:40:53,186 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B 2026-02-10T11:40:53,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A 2026-02-10T11:40:53,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A 2026-02-10T11:40:53,192 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A 2026-02-10T11:40:53,193 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A 2026-02-10T11:40:53,195 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B 2026-02-10T11:40:53,196 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B 2026-02-10T11:40:53,198 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A 2026-02-10T11:40:53,199 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A 2026-02-10T11:40:53,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B 2026-02-10T11:40:53,202 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B 2026-02-10T11:40:53,204 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5 2026-02-10T11:40:53,206 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5 2026-02-10T11:40:53,208 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:40:53,209 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:40:53,213 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:40:53,215 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:40:53,218 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:40:53,220 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:40:53,224 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op 2026-02-10T11:40:53,225 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op 2026-02-10T11:40:53,227 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:40:53,228 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:40:53,230 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:40:53,231 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:40:53,233 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm 2026-02-10T11:40:53,234 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm 2026-02-10T11:40:53,236 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:40:53,237 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:40:53,239 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c 2026-02-10T11:40:53,240 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c 2026-02-10T11:40:53,242 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:40:53,243 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:40:53,246 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:40:53,247 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:40:53,250 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:40:53,251 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:40:53,254 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O 2026-02-10T11:40:53,255 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O 2026-02-10T11:40:53,257 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:40:53,258 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:40:53,260 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:40:53,261 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:40:53,263 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es 2026-02-10T11:40:53,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es 2026-02-10T11:40:53,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:40:53,267 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:40:53,270 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:40:53,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:40:53,273 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:40:53,274 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:40:53,276 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b 2026-02-10T11:40:53,277 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b 2026-02-10T11:40:53,280 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4 2026-02-10T11:40:53,281 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4 2026-02-10T11:40:53,283 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:40:53,284 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:40:53,288 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3 2026-02-10T11:40:53,290 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3 2026-02-10T11:40:53,293 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6 2026-02-10T11:40:53,295 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6 2026-02-10T11:40:53,298 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:40:53,299 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:40:53,302 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20 2026-02-10T11:40:53,303 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20 2026-02-10T11:40:53,306 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:40:53,307 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:40:53,309 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2 2026-02-10T11:40:53,310 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2 2026-02-10T11:40:53,312 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:40:53,313 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:40:53,316 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18 2026-02-10T11:40:53,318 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18 2026-02-10T11:40:53,320 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n 2026-02-10T11:40:53,321 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n 2026-02-10T11:40:53,324 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o 2026-02-10T11:40:53,325 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o 2026-02-10T11:40:53,329 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24 2026-02-10T11:40:53,330 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24 2026-02-10T11:40:53,333 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si- 2026-02-10T11:40:53,334 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si- 2026-02-10T11:40:53,336 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15 2026-02-10T11:40:53,337 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15 2026-02-10T11:40:53,339 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n 2026-02-10T11:40:53,340 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n 2026-02-10T11:40:53,342 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21 2026-02-10T11:40:53,343 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21 2026-02-10T11:40:53,345 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17 2026-02-10T11:40:53,346 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17 2026-02-10T11:40:53,349 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n 2026-02-10T11:40:53,350 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n 2026-02-10T11:40:53,352 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p- 2026-02-10T11:40:53,353 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p- 2026-02-10T11:40:53,355 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13 2026-02-10T11:40:53,356 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13 2026-02-10T11:40:53,359 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n 2026-02-10T11:40:53,360 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n 2026-02-10T11:40:53,362 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n 2026-02-10T11:40:53,363 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n 2026-02-10T11:40:53,365 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n 2026-02-10T11:40:53,366 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n 2026-02-10T11:40:53,368 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22 2026-02-10T11:40:53,369 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22 2026-02-10T11:40:53,371 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n 2026-02-10T11:40:53,372 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n 2026-02-10T11:40:53,375 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14 2026-02-10T11:40:53,375 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14 2026-02-10T11:40:53,378 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f 2026-02-10T11:40:53,379 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f 2026-02-10T11:40:53,382 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n 2026-02-10T11:40:53,383 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n 2026-02-10T11:40:53,386 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n 2026-02-10T11:40:53,387 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n 2026-02-10T11:40:53,389 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n 2026-02-10T11:40:53,390 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n 2026-02-10T11:40:53,392 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8 2026-02-10T11:40:53,393 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8 2026-02-10T11:40:53,395 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11 2026-02-10T11:40:53,396 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11 2026-02-10T11:40:53,398 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20 2026-02-10T11:40:53,399 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20 2026-02-10T11:40:53,401 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23 2026-02-10T11:40:53,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23 2026-02-10T11:40:53,405 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si 2026-02-10T11:40:53,406 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si 2026-02-10T11:40:53,408 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25 2026-02-10T11:40:53,409 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25 2026-02-10T11:40:53,411 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n 2026-02-10T11:40:53,412 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n 2026-02-10T11:40:53,414 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9 2026-02-10T11:40:53,415 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9 2026-02-10T11:40:53,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s 2026-02-10T11:40:53,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s 2026-02-10T11:40:53,420 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12 2026-02-10T11:40:53,421 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12 2026-02-10T11:40:53,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n 2026-02-10T11:40:53,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n 2026-02-10T11:40:53,427 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c 2026-02-10T11:40:53,428 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c 2026-02-10T11:40:53,430 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n 2026-02-10T11:40:53,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n 2026-02-10T11:40:53,433 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n 2026-02-10T11:40:53,434 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n 2026-02-10T11:40:53,436 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl 2026-02-10T11:40:53,437 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl 2026-02-10T11:40:53,439 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19 2026-02-10T11:40:53,440 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19 2026-02-10T11:40:53,442 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n 2026-02-10T11:40:53,443 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n 2026-02-10T11:40:53,445 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10 2026-02-10T11:40:53,446 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10 2026-02-10T11:40:53,448 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:40:53,449 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:40:53,451 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16 2026-02-10T11:40:53,452 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16 2026-02-10T11:40:53,455 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p 2026-02-10T11:40:53,456 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p 2026-02-10T11:40:53,458 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c- 2026-02-10T11:40:53,459 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c- 2026-02-10T11:40:53,461 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f- 2026-02-10T11:40:53,462 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f- 2026-02-10T11:40:53,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n 2026-02-10T11:40:53,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n 2026-02-10T11:40:53,469 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n 2026-02-10T11:40:53,470 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n 2026-02-10T11:40:53,472 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o- 2026-02-10T11:40:53,473 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o- 2026-02-10T11:40:53,476 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n 2026-02-10T11:40:53,477 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n 2026-02-10T11:40:53,479 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s- 2026-02-10T11:40:53,480 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s- 2026-02-10T11:40:53,482 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b 2026-02-10T11:40:53,484 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b 2026-02-10T11:40:53,486 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b 2026-02-10T11:40:53,487 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b 2026-02-10T11:40:53,489 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a 2026-02-10T11:40:53,490 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a 2026-02-10T11:40:53,492 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07 2026-02-10T11:40:53,493 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07 2026-02-10T11:40:53,495 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b 2026-02-10T11:40:53,496 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b 2026-02-10T11:40:53,498 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a 2026-02-10T11:40:53,499 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a 2026-02-10T11:40:53,501 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b 2026-02-10T11:40:53,502 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b 2026-02-10T11:40:53,504 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02 2026-02-10T11:40:53,505 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02 2026-02-10T11:40:53,507 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12 2026-02-10T11:40:53,508 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12 2026-02-10T11:40:53,510 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b 2026-02-10T11:40:53,512 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b 2026-02-10T11:40:53,514 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a 2026-02-10T11:40:53,515 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a 2026-02-10T11:40:53,517 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a 2026-02-10T11:40:53,518 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a 2026-02-10T11:40:53,520 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b 2026-02-10T11:40:53,521 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b 2026-02-10T11:40:53,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b 2026-02-10T11:40:53,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b 2026-02-10T11:40:53,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18 2026-02-10T11:40:53,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18 2026-02-10T11:40:53,530 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13 2026-02-10T11:40:53,531 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13 2026-02-10T11:40:53,533 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a 2026-02-10T11:40:53,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a 2026-02-10T11:40:53,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a 2026-02-10T11:40:53,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a 2026-02-10T11:40:53,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a 2026-02-10T11:40:53,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a 2026-02-10T11:40:53,542 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b 2026-02-10T11:40:53,543 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b 2026-02-10T11:40:53,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05 2026-02-10T11:40:53,547 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05 2026-02-10T11:40:53,550 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20 2026-02-10T11:40:53,551 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20 2026-02-10T11:40:53,554 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01 2026-02-10T11:40:53,555 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01 2026-02-10T11:40:53,557 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a 2026-02-10T11:40:53,558 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a 2026-02-10T11:40:53,560 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a 2026-02-10T11:40:53,561 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a 2026-02-10T11:40:53,563 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b 2026-02-10T11:40:53,564 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b 2026-02-10T11:40:53,566 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b 2026-02-10T11:40:53,567 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b 2026-02-10T11:40:53,569 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a 2026-02-10T11:40:53,570 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a 2026-02-10T11:40:53,573 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08 2026-02-10T11:40:53,573 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08 2026-02-10T11:40:53,576 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b 2026-02-10T11:40:53,577 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b 2026-02-10T11:40:53,579 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a 2026-02-10T11:40:53,580 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a 2026-02-10T11:40:53,582 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04 2026-02-10T11:40:53,583 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04 2026-02-10T11:40:53,585 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16 2026-02-10T11:40:53,586 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16 2026-02-10T11:40:53,588 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a 2026-02-10T11:40:53,589 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a 2026-02-10T11:40:53,592 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b 2026-02-10T11:40:53,593 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b 2026-02-10T11:40:53,595 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a 2026-02-10T11:40:53,596 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a 2026-02-10T11:40:53,599 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a 2026-02-10T11:40:53,600 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a 2026-02-10T11:40:53,602 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09 2026-02-10T11:40:53,603 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09 2026-02-10T11:40:53,605 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22 2026-02-10T11:40:53,606 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22 2026-02-10T11:40:53,608 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10 2026-02-10T11:40:53,609 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10 2026-02-10T11:40:53,611 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06 2026-02-10T11:40:53,612 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06 2026-02-10T11:40:53,614 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a 2026-02-10T11:40:53,615 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a 2026-02-10T11:40:53,618 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a 2026-02-10T11:40:53,619 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a 2026-02-10T11:40:53,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a 2026-02-10T11:40:53,622 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a 2026-02-10T11:40:53,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a 2026-02-10T11:40:53,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a 2026-02-10T11:40:53,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b 2026-02-10T11:40:53,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b 2026-02-10T11:40:53,630 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11 2026-02-10T11:40:53,631 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11 2026-02-10T11:40:53,634 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15 2026-02-10T11:40:53,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15 2026-02-10T11:40:53,638 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03 2026-02-10T11:40:53,639 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03 2026-02-10T11:40:53,642 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17 2026-02-10T11:40:53,643 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17 2026-02-10T11:40:53,645 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a 2026-02-10T11:40:53,646 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a 2026-02-10T11:40:53,648 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21 2026-02-10T11:40:53,649 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21 2026-02-10T11:40:53,651 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a 2026-02-10T11:40:53,652 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a 2026-02-10T11:40:53,654 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a 2026-02-10T11:40:53,656 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a 2026-02-10T11:40:53,659 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a 2026-02-10T11:40:53,660 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a 2026-02-10T11:40:53,663 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14 2026-02-10T11:40:53,664 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14 2026-02-10T11:40:53,666 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19 2026-02-10T11:40:53,667 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19 2026-02-10T11:40:53,669 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:40:53,671 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:40:53,674 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:40:53,675 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:40:53,677 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:40:53,679 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:40:53,681 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he 2026-02-10T11:40:53,682 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he 2026-02-10T11:40:53,684 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:40:53,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:40:53,687 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3 2026-02-10T11:40:53,688 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3 2026-02-10T11:40:53,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:40:53,692 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:40:53,694 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:40:53,695 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:40:53,697 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:40:53,698 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:40:53,701 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:40:53,702 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:40:53,704 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:40:53,705 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:40:53,708 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:40:53,709 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:40:53,711 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:40:53,712 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:40:53,714 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h 2026-02-10T11:40:53,715 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h 2026-02-10T11:40:53,717 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o 2026-02-10T11:40:53,718 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o 2026-02-10T11:40:53,721 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:40:53,722 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:40:53,725 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:40:53,726 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:40:53,728 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:40:53,729 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:40:53,731 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:40:53,732 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:40:53,734 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:40:53,736 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:40:53,738 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:40:53,740 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:40:53,743 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+ 2026-02-10T11:40:53,744 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+ 2026-02-10T11:40:53,747 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:40:53,748 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:40:53,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9 2026-02-10T11:40:53,752 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9 2026-02-10T11:40:53,754 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3 2026-02-10T11:40:53,755 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3 2026-02-10T11:40:53,757 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4 2026-02-10T11:40:53,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4 2026-02-10T11:40:53,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6 2026-02-10T11:40:53,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6 2026-02-10T11:40:53,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X 2026-02-10T11:40:53,765 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X 2026-02-10T11:40:53,767 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10 2026-02-10T11:40:53,768 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10 2026-02-10T11:40:53,771 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein 2026-02-10T11:40:53,772 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein 2026-02-10T11:40:53,774 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X 2026-02-10T11:40:53,775 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X 2026-02-10T11:40:53,777 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X 2026-02-10T11:40:53,778 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X 2026-02-10T11:40:53,780 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7 2026-02-10T11:40:53,781 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7 2026-02-10T11:40:53,783 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene 2026-02-10T11:40:53,785 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene 2026-02-10T11:40:53,787 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1 2026-02-10T11:40:53,788 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1 2026-02-10T11:40:53,790 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2 2026-02-10T11:40:53,791 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2 2026-02-10T11:40:53,793 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X 2026-02-10T11:40:53,794 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X 2026-02-10T11:40:53,796 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH 2026-02-10T11:40:53,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH 2026-02-10T11:40:53,799 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5 2026-02-10T11:40:53,800 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5 2026-02-10T11:40:53,803 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene 2026-02-10T11:40:53,804 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene 2026-02-10T11:40:53,806 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine 2026-02-10T11:40:53,807 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine 2026-02-10T11:40:53,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8 2026-02-10T11:40:53,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8 2026-02-10T11:40:53,812 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane 2026-02-10T11:40:53,813 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane 2026-02-10T11:40:53,815 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene 2026-02-10T11:40:53,816 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene 2026-02-10T11:40:53,819 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene 2026-02-10T11:40:53,820 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene 2026-02-10T11:40:53,823 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e 2026-02-10T11:40:53,825 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e 2026-02-10T11:40:53,828 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e 2026-02-10T11:40:53,829 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e 2026-02-10T11:40:53,832 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e 2026-02-10T11:40:53,833 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e 2026-02-10T11:40:53,836 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p 2026-02-10T11:40:53,837 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p 2026-02-10T11:40:53,840 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e 2026-02-10T11:40:53,842 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e 2026-02-10T11:40:53,845 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p 2026-02-10T11:40:53,846 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p 2026-02-10T11:40:53,849 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e 2026-02-10T11:40:53,850 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e 2026-02-10T11:40:53,852 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e 2026-02-10T11:40:53,853 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e 2026-02-10T11:40:53,855 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p 2026-02-10T11:40:53,856 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p 2026-02-10T11:40:53,858 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e 2026-02-10T11:40:53,859 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e 2026-02-10T11:40:53,861 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e 2026-02-10T11:40:53,862 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e 2026-02-10T11:40:53,864 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e 2026-02-10T11:40:53,865 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e 2026-02-10T11:40:53,867 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p 2026-02-10T11:40:53,868 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p 2026-02-10T11:40:53,871 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p 2026-02-10T11:40:53,872 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p 2026-02-10T11:40:53,874 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p 2026-02-10T11:40:53,875 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p 2026-02-10T11:40:53,877 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p 2026-02-10T11:40:53,878 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p 2026-02-10T11:40:53,880 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p 2026-02-10T11:40:53,882 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p 2026-02-10T11:40:53,885 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p 2026-02-10T11:40:53,886 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p 2026-02-10T11:40:53,888 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p 2026-02-10T11:40:53,889 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p 2026-02-10T11:40:53,891 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p 2026-02-10T11:40:53,892 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p 2026-02-10T11:40:53,895 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e 2026-02-10T11:40:53,896 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e 2026-02-10T11:40:53,898 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e 2026-02-10T11:40:53,899 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e 2026-02-10T11:40:53,902 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e 2026-02-10T11:40:53,903 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e 2026-02-10T11:40:53,906 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e 2026-02-10T11:40:53,907 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e 2026-02-10T11:40:53,910 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p 2026-02-10T11:40:53,911 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p 2026-02-10T11:40:53,914 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e 2026-02-10T11:40:53,915 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e 2026-02-10T11:40:53,917 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p 2026-02-10T11:40:53,918 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p 2026-02-10T11:40:53,921 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p 2026-02-10T11:40:53,922 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p 2026-02-10T11:40:53,925 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e 2026-02-10T11:40:53,926 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e 2026-02-10T11:40:53,928 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p 2026-02-10T11:40:53,929 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p 2026-02-10T11:40:53,932 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e 2026-02-10T11:40:53,933 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e 2026-02-10T11:40:53,935 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e 2026-02-10T11:40:53,936 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e 2026-02-10T11:40:53,939 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e 2026-02-10T11:40:53,940 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e 2026-02-10T11:40:53,943 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p 2026-02-10T11:40:53,944 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p 2026-02-10T11:40:53,947 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e 2026-02-10T11:40:53,948 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e 2026-02-10T11:40:53,950 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p 2026-02-10T11:40:53,951 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p 2026-02-10T11:40:53,953 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p 2026-02-10T11:40:53,955 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p 2026-02-10T11:40:53,957 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p 2026-02-10T11:40:53,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p 2026-02-10T11:40:53,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p 2026-02-10T11:40:53,961 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p 2026-02-10T11:40:53,963 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e 2026-02-10T11:40:53,965 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e 2026-02-10T11:40:53,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p 2026-02-10T11:40:53,968 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p 2026-02-10T11:40:53,970 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p 2026-02-10T11:40:53,971 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p 2026-02-10T11:40:53,974 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e 2026-02-10T11:40:53,975 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e 2026-02-10T11:40:53,977 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e 2026-02-10T11:40:53,978 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e 2026-02-10T11:40:53,980 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p 2026-02-10T11:40:53,981 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p 2026-02-10T11:40:53,983 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e 2026-02-10T11:40:53,985 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e 2026-02-10T11:40:53,988 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e 2026-02-10T11:40:53,989 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e 2026-02-10T11:40:53,992 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p 2026-02-10T11:40:53,994 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p 2026-02-10T11:40:53,996 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh 2026-02-10T11:40:53,997 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh 2026-02-10T11:40:53,999 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4 2026-02-10T11:40:54,000 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4 2026-02-10T11:40:54,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A 2026-02-10T11:40:54,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A 2026-02-10T11:40:54,006 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p 2026-02-10T11:40:54,007 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p 2026-02-10T11:40:54,010 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p 2026-02-10T11:40:54,011 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p 2026-02-10T11:40:54,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s 2026-02-10T11:40:54,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s 2026-02-10T11:40:54,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3 2026-02-10T11:40:54,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3 2026-02-10T11:40:54,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp 2026-02-10T11:40:54,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp 2026-02-10T11:40:54,023 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G 2026-02-10T11:40:54,024 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G 2026-02-10T11:40:54,026 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol 2026-02-10T11:40:54,027 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol 2026-02-10T11:40:54,030 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp 2026-02-10T11:40:54,031 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp 2026-02-10T11:40:54,034 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6 2026-02-10T11:40:54,035 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6 2026-02-10T11:40:54,038 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2 2026-02-10T11:40:54,040 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2 2026-02-10T11:40:54,042 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp 2026-02-10T11:40:54,043 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp 2026-02-10T11:40:54,045 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4 2026-02-10T11:40:54,046 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4 2026-02-10T11:40:54,048 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp 2026-02-10T11:40:54,049 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp 2026-02-10T11:40:54,051 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p 2026-02-10T11:40:54,052 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p 2026-02-10T11:40:54,055 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp 2026-02-10T11:40:54,056 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp 2026-02-10T11:40:54,058 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly 2026-02-10T11:40:54,059 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly 2026-02-10T11:40:54,061 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp 2026-02-10T11:40:54,062 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp 2026-02-10T11:40:54,064 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp 2026-02-10T11:40:54,065 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp 2026-02-10T11:40:54,067 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol 2026-02-10T11:40:54,069 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol 2026-02-10T11:40:54,071 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p 2026-02-10T11:40:54,072 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p 2026-02-10T11:40:54,075 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p 2026-02-10T11:40:54,077 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p 2026-02-10T11:40:54,079 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap 2026-02-10T11:40:54,080 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap 2026-02-10T11:40:54,083 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp 2026-02-10T11:40:54,083 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp 2026-02-10T11:40:54,086 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp 2026-02-10T11:40:54,087 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp 2026-02-10T11:40:54,089 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3 2026-02-10T11:40:54,090 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3 2026-02-10T11:40:54,092 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o 2026-02-10T11:40:54,093 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o 2026-02-10T11:40:54,095 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6 2026-02-10T11:40:54,096 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6 2026-02-10T11:40:54,098 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:40:54,099 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:40:54,101 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p 2026-02-10T11:40:54,102 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p 2026-02-10T11:40:54,105 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p 2026-02-10T11:40:54,105 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p 2026-02-10T11:40:54,108 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p 2026-02-10T11:40:54,109 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p 2026-02-10T11:40:54,112 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8 2026-02-10T11:40:54,113 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8 2026-02-10T11:40:54,115 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys 2026-02-10T11:40:54,116 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys 2026-02-10T11:40:54,119 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s 2026-02-10T11:40:54,121 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s 2026-02-10T11:40:54,124 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p 2026-02-10T11:40:54,125 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p 2026-02-10T11:40:54,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C 2026-02-10T11:40:54,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C 2026-02-10T11:40:54,131 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:40:54,132 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:40:54,134 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass 2026-02-10T11:40:54,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass 2026-02-10T11:40:54,137 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2 2026-02-10T11:40:54,138 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2 2026-02-10T11:40:54,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T 2026-02-10T11:40:54,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T 2026-02-10T11:40:54,144 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp 2026-02-10T11:40:54,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp 2026-02-10T11:40:54,147 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op 2026-02-10T11:40:54,148 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op 2026-02-10T11:40:54,150 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp 2026-02-10T11:40:54,151 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp 2026-02-10T11:40:54,153 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6 2026-02-10T11:40:54,155 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6 2026-02-10T11:40:54,157 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p 2026-02-10T11:40:54,158 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p 2026-02-10T11:40:54,160 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p 2026-02-10T11:40:54,161 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p 2026-02-10T11:40:54,163 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl 2026-02-10T11:40:54,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl 2026-02-10T11:40:54,166 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp 2026-02-10T11:40:54,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp 2026-02-10T11:40:54,173 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2 2026-02-10T11:40:54,174 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2 2026-02-10T11:40:54,177 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2 2026-02-10T11:40:54,178 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2 2026-02-10T11:40:54,180 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2 2026-02-10T11:40:54,181 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2 2026-02-10T11:40:54,183 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4 2026-02-10T11:40:54,185 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4 2026-02-10T11:40:54,187 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2 2026-02-10T11:40:54,188 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2 2026-02-10T11:40:54,190 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2 2026-02-10T11:40:54,191 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2 2026-02-10T11:40:54,194 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6 2026-02-10T11:40:54,195 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6 2026-02-10T11:40:54,197 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1 2026-02-10T11:40:54,198 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1 2026-02-10T11:40:54,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene 2026-02-10T11:40:54,202 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene 2026-02-10T11:40:54,204 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:40:54,205 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:40:54,207 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen 2026-02-10T11:40:54,209 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen 2026-02-10T11:40:54,211 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:40:54,212 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:40:54,216 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:40:54,217 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:40:54,224 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be 2026-02-10T11:40:54,225 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be 2026-02-10T11:40:54,228 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35 2026-02-10T11:40:54,229 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35 2026-02-10T11:40:54,231 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8 2026-02-10T11:40:54,232 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8 2026-02-10T11:40:54,235 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb 2026-02-10T11:40:54,236 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb 2026-02-10T11:40:54,239 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip 2026-02-10T11:40:54,240 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip 2026-02-10T11:40:54,242 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage 2026-02-10T11:40:54,243 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage 2026-02-10T11:40:54,246 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2 2026-02-10T11:40:54,247 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2 2026-02-10T11:40:54,249 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3 2026-02-10T11:40:54,250 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3 2026-02-10T11:40:54,252 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:40:54,253 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:40:54,255 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl 2026-02-10T11:40:54,257 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl 2026-02-10T11:40:54,259 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne 2026-02-10T11:40:54,260 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne 2026-02-10T11:40:54,263 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35 2026-02-10T11:40:54,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35 2026-02-10T11:40:54,267 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6 2026-02-10T11:40:54,268 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6 2026-02-10T11:40:54,271 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36 2026-02-10T11:40:54,272 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36 2026-02-10T11:40:54,274 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4 2026-02-10T11:40:54,275 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4 2026-02-10T11:40:54,277 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36 2026-02-10T11:40:54,278 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36 2026-02-10T11:40:54,280 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen 2026-02-10T11:40:54,282 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen 2026-02-10T11:40:54,284 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL 2026-02-10T11:40:54,285 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL 2026-02-10T11:40:54,287 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:40:54,289 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:40:54,291 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:40:54,292 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:40:54,294 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99 2026-02-10T11:40:54,295 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99 2026-02-10T11:40:54,297 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215 2026-02-10T11:40:54,298 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215 2026-02-10T11:40:54,301 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:40:54,302 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:40:54,304 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357 2026-02-10T11:40:54,305 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357 2026-02-10T11:40:54,307 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470 2026-02-10T11:40:54,308 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470 2026-02-10T11:40:54,311 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:40:54,312 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:40:54,314 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b 2026-02-10T11:40:54,315 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b 2026-02-10T11:40:54,317 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224 2026-02-10T11:40:54,318 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224 2026-02-10T11:40:54,320 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:40:54,321 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:40:54,324 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114 2026-02-10T11:40:54,325 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114 2026-02-10T11:40:54,327 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691 2026-02-10T11:40:54,328 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691 2026-02-10T11:40:54,330 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300 2026-02-10T11:40:54,331 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300 2026-02-10T11:40:54,334 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:40:54,335 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:40:54,337 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366 2026-02-10T11:40:54,338 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366 2026-02-10T11:40:54,340 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:40:54,341 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:40:54,344 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:40:54,345 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:40:54,348 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444 2026-02-10T11:40:54,349 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444 2026-02-10T11:40:54,351 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412 2026-02-10T11:40:54,352 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412 2026-02-10T11:40:54,354 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:40:54,355 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:40:54,358 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:40:54,360 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:40:54,363 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:40:54,364 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:40:54,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:40:54,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:40:54,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:40:54,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:40:54,373 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:40:54,374 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:40:54,376 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:40:54,377 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:40:54,379 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:40:54,380 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:40:54,382 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:40:54,383 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:40:54,386 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI 2026-02-10T11:40:54,387 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI 2026-02-10T11:40:54,389 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:40:54,390 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:40:54,392 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:40:54,393 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:40:54,395 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe 2026-02-10T11:40:54,397 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe 2026-02-10T11:40:54,399 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:40:54,400 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:40:54,402 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr 2026-02-10T11:40:54,403 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr 2026-02-10T11:40:54,406 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:40:54,407 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:40:54,409 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI 2026-02-10T11:40:54,410 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI 2026-02-10T11:40:54,412 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:40:54,413 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:40:54,415 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:40:54,416 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:40:54,419 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:40:54,420 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:40:54,422 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:40:54,423 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:40:54,426 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:40:54,427 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:40:54,429 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:40:54,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:40:54,433 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:40:54,434 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:40:54,437 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:40:54,438 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:40:54,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:40:54,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:40:54,443 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:40:54,444 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:40:54,447 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:40:54,448 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:40:54,450 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:40:54,451 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:40:54,453 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:40:54,455 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:40:54,457 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI 2026-02-10T11:40:54,458 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI 2026-02-10T11:40:54,461 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:40:54,462 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:40:54,464 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH 2026-02-10T11:40:54,465 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH 2026-02-10T11:40:54,467 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:40:54,468 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:40:54,471 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:40:54,472 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:40:54,474 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:40:54,475 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:40:54,478 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:40:54,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:40:54,482 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:40:54,483 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:40:54,485 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:40:54,486 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:40:54,489 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2 2026-02-10T11:40:54,490 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2 2026-02-10T11:40:54,492 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:40:54,493 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:40:54,495 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:40:54,496 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:40:54,499 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:40:54,500 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:40:54,502 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3 2026-02-10T11:40:54,504 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3 2026-02-10T11:40:54,506 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:40:54,507 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:40:54,510 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:40:54,511 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:40:54,514 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:40:54,515 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:40:54,517 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:40:54,518 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:40:54,520 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH 2026-02-10T11:40:54,521 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH 2026-02-10T11:40:54,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:40:54,525 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:40:54,527 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:40:54,528 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:40:54,530 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:40:54,531 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:40:54,533 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:40:54,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:40:54,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:40:54,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:40:54,540 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:40:54,541 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:40:54,543 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:40:54,544 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:40:54,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:40:54,547 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:40:54,550 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:40:54,551 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:40:54,553 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:40:54,554 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:40:54,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:40:54,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:40:54,560 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:40:54,561 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:40:54,563 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:40:54,564 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:40:54,567 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:40:54,567 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:40:54,570 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:40:54,571 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:40:54,573 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH 2026-02-10T11:40:54,574 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH 2026-02-10T11:40:54,576 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl 2026-02-10T11:40:54,577 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl 2026-02-10T11:40:54,579 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:40:54,580 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:40:54,582 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:40:54,583 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:40:54,585 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:40:54,586 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:40:54,588 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS 2026-02-10T11:40:54,589 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS 2026-02-10T11:40:54,591 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:40:54,592 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:40:54,594 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:40:54,596 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:40:54,598 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:40:54,599 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:40:54,601 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:40:54,602 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:40:54,604 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:40:54,605 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:40:54,608 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:40:54,609 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:40:54,611 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:40:54,612 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:40:54,615 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:40:54,617 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:40:54,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:40:54,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:40:54,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:40:54,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:40:54,630 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:40:54,632 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:40:54,634 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:40:54,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:40:54,638 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:40:54,639 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:40:54,641 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr 2026-02-10T11:40:54,642 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr 2026-02-10T11:40:54,644 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:40:54,645 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:40:54,647 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:40:54,648 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:40:54,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:40:54,651 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:40:54,653 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:40:54,654 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:40:54,657 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:40:54,658 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:40:54,660 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:40:54,661 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:40:54,663 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:40:54,664 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:40:54,667 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:40:54,668 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:40:54,670 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI 2026-02-10T11:40:54,671 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI 2026-02-10T11:40:54,673 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:40:54,674 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:40:54,677 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:40:54,678 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:40:54,681 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr 2026-02-10T11:40:54,681 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr 2026-02-10T11:40:54,684 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:40:54,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:40:54,687 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:40:54,688 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:40:54,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr 2026-02-10T11:40:54,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr 2026-02-10T11:40:54,694 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:40:54,695 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:40:54,697 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:40:54,698 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:40:54,700 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3 2026-02-10T11:40:54,700 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3 2026-02-10T11:40:54,703 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:40:54,704 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:40:54,706 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS 2026-02-10T11:40:54,707 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS 2026-02-10T11:40:54,709 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:40:54,710 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:40:54,712 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:40:54,713 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:40:54,715 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64 2026-02-10T11:40:54,717 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64 2026-02-10T11:40:54,719 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+ 2026-02-10T11:40:54,720 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+ 2026-02-10T11:40:54,722 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74 2026-02-10T11:40:54,723 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74 2026-02-10T11:40:54,725 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12 2026-02-10T11:40:54,726 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12 2026-02-10T11:40:54,728 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+ 2026-02-10T11:40:54,729 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+ 2026-02-10T11:40:54,732 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18 2026-02-10T11:40:54,733 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18 2026-02-10T11:40:54,736 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59 2026-02-10T11:40:54,737 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59 2026-02-10T11:40:54,740 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+ 2026-02-10T11:40:54,741 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+ 2026-02-10T11:40:54,744 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34 2026-02-10T11:40:54,745 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34 2026-02-10T11:40:54,747 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13 2026-02-10T11:40:54,748 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13 2026-02-10T11:40:54,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77 2026-02-10T11:40:54,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77 2026-02-10T11:40:54,752 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b 2026-02-10T11:40:54,753 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b 2026-02-10T11:40:54,755 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76 2026-02-10T11:40:54,756 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76 2026-02-10T11:40:54,758 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+ 2026-02-10T11:40:54,759 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+ 2026-02-10T11:40:54,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48 2026-02-10T11:40:54,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48 2026-02-10T11:40:54,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137 2026-02-10T11:40:54,765 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137 2026-02-10T11:40:54,767 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45 2026-02-10T11:40:54,769 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45 2026-02-10T11:40:54,771 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+ 2026-02-10T11:40:54,772 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+ 2026-02-10T11:40:54,774 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+ 2026-02-10T11:40:54,775 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+ 2026-02-10T11:40:54,777 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+ 2026-02-10T11:40:54,778 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+ 2026-02-10T11:40:54,780 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o 2026-02-10T11:40:54,781 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o 2026-02-10T11:40:54,783 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be 2026-02-10T11:40:54,785 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be 2026-02-10T11:40:54,787 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73 2026-02-10T11:40:54,788 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73 2026-02-10T11:40:54,790 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20 2026-02-10T11:40:54,791 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20 2026-02-10T11:40:54,793 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+ 2026-02-10T11:40:54,794 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+ 2026-02-10T11:40:54,796 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+ 2026-02-10T11:40:54,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+ 2026-02-10T11:40:54,800 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na 2026-02-10T11:40:54,801 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na 2026-02-10T11:40:54,803 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+ 2026-02-10T11:40:54,804 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+ 2026-02-10T11:40:54,806 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80 2026-02-10T11:40:54,807 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80 2026-02-10T11:40:54,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75 2026-02-10T11:40:54,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75 2026-02-10T11:40:54,812 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70 2026-02-10T11:40:54,813 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70 2026-02-10T11:40:54,815 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66 2026-02-10T11:40:54,816 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66 2026-02-10T11:40:54,818 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si 2026-02-10T11:40:54,819 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si 2026-02-10T11:40:54,822 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n 2026-02-10T11:40:54,823 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n 2026-02-10T11:40:54,825 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h 2026-02-10T11:40:54,826 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h 2026-02-10T11:40:54,829 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65 2026-02-10T11:40:54,830 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65 2026-02-10T11:40:54,832 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li 2026-02-10T11:40:54,833 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li 2026-02-10T11:40:54,835 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44 2026-02-10T11:40:54,837 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44 2026-02-10T11:40:54,839 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25 2026-02-10T11:40:54,840 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25 2026-02-10T11:40:54,842 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30 2026-02-10T11:40:54,843 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30 2026-02-10T11:40:54,845 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s 2026-02-10T11:40:54,846 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s 2026-02-10T11:40:54,848 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68 2026-02-10T11:40:54,849 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68 2026-02-10T11:40:54,852 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg 2026-02-10T11:40:54,853 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg 2026-02-10T11:40:54,855 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67 2026-02-10T11:40:54,856 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67 2026-02-10T11:40:54,859 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78 2026-02-10T11:40:54,860 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78 2026-02-10T11:40:54,862 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43 2026-02-10T11:40:54,863 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43 2026-02-10T11:40:54,865 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37 2026-02-10T11:40:54,866 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37 2026-02-10T11:40:54,868 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22 2026-02-10T11:40:54,869 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22 2026-02-10T11:40:54,871 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p 2026-02-10T11:40:54,872 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p 2026-02-10T11:40:54,875 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26 2026-02-10T11:40:54,876 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26 2026-02-10T11:40:54,879 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+ 2026-02-10T11:40:54,880 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+ 2026-02-10T11:40:54,882 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72 2026-02-10T11:40:54,883 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72 2026-02-10T11:40:54,885 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f 2026-02-10T11:40:54,886 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f 2026-02-10T11:40:54,888 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+ 2026-02-10T11:40:54,889 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+ 2026-02-10T11:40:54,891 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60 2026-02-10T11:40:54,892 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60 2026-02-10T11:40:54,894 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl 2026-02-10T11:40:54,895 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl 2026-02-10T11:40:54,898 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65 2026-02-10T11:40:54,899 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65 2026-02-10T11:40:54,901 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51 2026-02-10T11:40:54,902 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51 2026-02-10T11:40:54,904 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71 2026-02-10T11:40:54,905 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71 2026-02-10T11:40:54,907 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11 2026-02-10T11:40:54,908 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11 2026-02-10T11:40:54,910 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61 2026-02-10T11:40:54,911 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61 2026-02-10T11:40:54,913 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+ 2026-02-10T11:40:54,914 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+ 2026-02-10T11:40:54,917 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c 2026-02-10T11:40:54,918 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c 2026-02-10T11:40:54,920 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+ 2026-02-10T11:40:54,921 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+ 2026-02-10T11:40:54,923 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14 2026-02-10T11:40:54,925 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14 2026-02-10T11:40:54,927 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al 2026-02-10T11:40:54,928 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al 2026-02-10T11:40:54,930 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19 2026-02-10T11:40:54,931 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19 2026-02-10T11:40:54,933 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62 2026-02-10T11:40:54,934 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62 2026-02-10T11:40:54,936 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8 2026-02-10T11:40:54,937 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8 2026-02-10T11:40:54,940 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79 2026-02-10T11:40:54,941 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79 2026-02-10T11:40:54,943 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63 2026-02-10T11:40:54,945 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63 2026-02-10T11:40:54,947 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25 2026-02-10T11:40:54,948 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25 2026-02-10T11:40:54,950 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24 2026-02-10T11:40:54,951 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24 2026-02-10T11:40:54,954 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23 2026-02-10T11:40:54,955 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23 2026-02-10T11:40:54,959 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19 2026-02-10T11:40:54,960 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19 2026-02-10T11:40:54,963 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21 2026-02-10T11:40:54,964 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21 2026-02-10T11:40:54,966 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26 2026-02-10T11:40:54,968 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26 2026-02-10T11:40:54,970 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9 2026-02-10T11:40:54,971 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9 2026-02-10T11:40:54,984 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3 2026-02-10T11:40:54,985 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3 2026-02-10T11:40:54,988 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4 2026-02-10T11:40:54,989 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4 2026-02-10T11:40:54,991 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20 2026-02-10T11:40:54,992 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20 2026-02-10T11:40:54,994 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27 2026-02-10T11:40:54,995 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27 2026-02-10T11:40:54,997 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6 2026-02-10T11:40:54,998 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6 2026-02-10T11:40:55,002 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26 2026-02-10T11:40:55,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26 2026-02-10T11:40:55,006 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30 2026-02-10T11:40:55,007 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30 2026-02-10T11:40:55,009 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10 2026-02-10T11:40:55,010 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10 2026-02-10T11:40:55,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20 2026-02-10T11:40:55,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20 2026-02-10T11:40:55,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11 2026-02-10T11:40:55,018 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11 2026-02-10T11:40:55,021 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7 2026-02-10T11:40:55,022 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7 2026-02-10T11:40:55,024 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34 2026-02-10T11:40:55,025 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34 2026-02-10T11:40:55,027 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7 2026-02-10T11:40:55,028 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7 2026-02-10T11:40:55,030 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32 2026-02-10T11:40:55,031 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32 2026-02-10T11:40:55,034 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30 2026-02-10T11:40:55,035 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30 2026-02-10T11:40:55,037 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1 2026-02-10T11:40:55,038 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1 2026-02-10T11:40:55,041 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12 2026-02-10T11:40:55,042 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12 2026-02-10T11:40:55,045 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4 2026-02-10T11:40:55,046 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4 2026-02-10T11:40:55,049 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15 2026-02-10T11:40:55,050 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15 2026-02-10T11:40:55,052 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15 2026-02-10T11:40:55,053 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15 2026-02-10T11:40:55,056 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2 2026-02-10T11:40:55,057 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2 2026-02-10T11:40:55,059 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22 2026-02-10T11:40:55,060 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22 2026-02-10T11:40:55,062 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23 2026-02-10T11:40:55,063 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23 2026-02-10T11:40:55,065 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24 2026-02-10T11:40:55,066 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24 2026-02-10T11:40:55,068 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16 2026-02-10T11:40:55,069 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16 2026-02-10T11:40:55,071 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34 2026-02-10T11:40:55,072 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34 2026-02-10T11:40:55,074 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10 2026-02-10T11:40:55,075 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10 2026-02-10T11:40:55,078 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17 2026-02-10T11:40:55,079 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17 2026-02-10T11:40:55,081 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17 2026-02-10T11:40:55,082 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17 2026-02-10T11:40:55,084 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3 2026-02-10T11:40:55,085 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3 2026-02-10T11:40:55,087 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21 2026-02-10T11:40:55,088 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21 2026-02-10T11:40:55,090 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27 2026-02-10T11:40:55,091 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27 2026-02-10T11:40:55,094 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13 2026-02-10T11:40:55,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13 2026-02-10T11:40:55,097 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5 2026-02-10T11:40:55,098 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5 2026-02-10T11:40:55,100 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31 2026-02-10T11:40:55,101 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31 2026-02-10T11:40:55,104 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8 2026-02-10T11:40:55,105 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8 2026-02-10T11:40:55,107 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29 2026-02-10T11:40:55,108 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29 2026-02-10T11:40:55,111 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1 2026-02-10T11:40:55,112 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1 2026-02-10T11:40:55,114 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14 2026-02-10T11:40:55,115 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14 2026-02-10T11:40:55,117 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33 2026-02-10T11:40:55,118 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33 2026-02-10T11:40:55,120 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31 2026-02-10T11:40:55,121 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31 2026-02-10T11:40:55,123 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33 2026-02-10T11:40:55,124 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33 2026-02-10T11:40:55,127 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16 2026-02-10T11:40:55,127 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16 2026-02-10T11:40:55,130 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9 2026-02-10T11:40:55,131 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9 2026-02-10T11:40:55,134 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11 2026-02-10T11:40:55,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11 2026-02-10T11:40:55,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14 2026-02-10T11:40:55,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14 2026-02-10T11:40:55,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12 2026-02-10T11:40:55,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12 2026-02-10T11:40:55,145 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8 2026-02-10T11:40:55,146 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8 2026-02-10T11:40:55,148 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29 2026-02-10T11:40:55,149 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29 2026-02-10T11:40:55,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25 2026-02-10T11:40:55,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25 2026-02-10T11:40:55,154 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13 2026-02-10T11:40:55,155 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13 2026-02-10T11:40:55,157 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28 2026-02-10T11:40:55,158 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28 2026-02-10T11:40:55,161 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18 2026-02-10T11:40:55,162 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18 2026-02-10T11:40:55,164 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18 2026-02-10T11:40:55,165 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18 2026-02-10T11:40:55,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32 2026-02-10T11:40:55,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32 2026-02-10T11:40:55,170 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28 2026-02-10T11:40:55,171 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28 2026-02-10T11:40:55,174 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2 2026-02-10T11:40:55,176 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2 2026-02-10T11:40:55,179 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3 2026-02-10T11:40:55,181 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3 2026-02-10T11:40:55,183 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4 2026-02-10T11:40:55,184 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4 2026-02-10T11:40:55,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2 2026-02-10T11:40:55,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2 2026-02-10T11:40:55,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6 2026-02-10T11:40:55,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6 2026-02-10T11:40:55,192 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7 2026-02-10T11:40:55,193 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7 2026-02-10T11:40:55,195 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5 2026-02-10T11:40:55,196 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5 2026-02-10T11:40:55,198 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6 2026-02-10T11:40:55,199 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6 2026-02-10T11:40:55,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5 2026-02-10T11:40:55,202 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5 2026-02-10T11:40:55,205 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3 2026-02-10T11:40:55,206 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3 2026-02-10T11:40:55,208 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4 2026-02-10T11:40:55,209 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4 2026-02-10T11:40:55,211 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7 2026-02-10T11:40:55,212 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7 2026-02-10T11:40:55,214 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:40:55,216 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:40:55,218 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:40:55,219 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:40:55,222 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:40:55,223 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:40:55,225 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:40:55,226 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:40:55,228 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:40:55,229 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:40:55,232 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:40:55,233 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:40:55,235 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:40:55,236 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:40:55,238 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:40:55,239 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:40:55,241 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:40:55,243 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:40:55,245 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:40:55,246 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:40:55,248 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:40:55,249 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:40:55,252 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:40:55,252 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:40:55,255 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:40:55,257 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:40:55,260 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:40:55,261 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:40:55,263 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:40:55,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:40:55,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:40:55,267 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:40:55,269 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:40:55,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:40:55,273 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:40:55,274 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:40:55,276 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:40:55,277 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:40:55,279 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:40:55,280 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:40:55,283 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:40:55,284 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:40:55,286 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:40:55,288 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:40:55,290 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:40:55,291 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:40:55,293 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:40:55,294 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:40:55,296 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:40:55,297 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:40:55,300 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:40:55,301 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:40:55,303 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:40:55,304 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:40:55,306 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:40:55,307 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:40:55,309 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:40:55,310 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:40:55,312 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:40:55,313 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:40:55,315 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:40:55,316 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:40:55,319 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:40:55,320 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:40:55,322 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:40:55,323 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:40:55,326 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:40:55,327 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:40:55,330 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:40:55,331 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:40:55,333 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:40:55,335 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:40:55,338 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:40:55,339 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:40:55,342 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:40:55,344 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:40:55,346 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:40:55,347 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:40:55,349 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:40:55,350 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:40:55,352 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:40:55,353 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:40:55,355 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:40:55,356 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:40:55,358 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:40:55,359 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:40:55,361 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:40:55,362 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:40:55,365 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:40:55,366 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:40:55,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:40:55,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:40:55,372 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:40:55,373 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:40:55,377 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:40:55,378 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:40:55,381 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:40:55,382 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:40:55,384 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:40:55,385 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:40:55,387 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:40:55,388 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:40:55,391 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:40:55,392 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:40:55,394 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:40:55,395 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:40:55,397 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:40:55,398 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:40:55,401 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:40:55,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:40:55,404 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:40:55,405 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:40:55,407 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:40:55,408 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:40:55,410 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:40:55,411 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:40:55,413 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:40:55,414 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:40:55,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:40:55,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:40:55,420 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:40:55,421 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:40:55,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:40:55,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:40:55,428 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:40:55,429 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:40:55,431 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:40:55,432 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:40:55,434 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:40:55,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:40:55,438 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:40:55,439 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:40:55,441 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:40:55,442 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:40:55,445 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:40:55,446 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:40:55,448 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:40:55,449 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:40:55,452 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:40:55,454 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:40:55,456 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:40:55,457 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:40:55,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:40:55,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:40:55,462 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:40:55,463 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:40:55,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:40:55,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:40:55,468 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:40:55,469 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:40:55,471 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:40:55,472 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:40:55,475 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:40:55,476 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:40:55,478 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:40:55,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:40:55,481 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:40:55,482 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:40:55,484 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:40:55,485 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:40:55,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:40:55,488 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:40:55,491 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:40:55,492 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:40:55,494 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:40:55,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:40:55,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:40:55,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:40:55,501 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:40:55,502 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:40:55,504 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:40:55,505 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:40:55,507 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:40:55,508 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:40:55,511 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:40:55,512 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:40:55,514 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:40:55,515 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:40:55,517 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:40:55,518 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:40:55,521 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:40:55,523 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:40:55,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:40:55,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:40:55,529 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:40:55,530 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:40:55,532 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:40:55,533 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:40:55,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:40:55,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:40:55,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:40:55,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:40:55,542 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:40:55,544 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:40:55,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:40:55,547 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:40:55,549 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:40:55,550 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:40:55,553 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:40:55,553 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:40:55,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3 2026-02-10T11:40:55,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3 2026-02-10T11:40:55,560 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4 2026-02-10T11:40:55,561 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4 2026-02-10T11:40:55,563 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:40:55,564 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:40:55,566 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6 2026-02-10T11:40:55,567 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6 2026-02-10T11:40:55,569 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3 2026-02-10T11:40:55,570 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3 2026-02-10T11:40:55,572 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6 2026-02-10T11:40:55,573 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6 2026-02-10T11:40:55,575 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3 2026-02-10T11:40:55,576 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3 2026-02-10T11:40:55,578 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5 2026-02-10T11:40:55,579 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5 2026-02-10T11:40:55,581 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6 2026-02-10T11:40:55,582 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6 2026-02-10T11:40:55,584 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2 2026-02-10T11:40:55,585 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2 2026-02-10T11:40:55,587 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3 2026-02-10T11:40:55,588 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3 2026-02-10T11:40:55,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2 2026-02-10T11:40:55,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2 2026-02-10T11:40:55,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr 2026-02-10T11:40:55,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr 2026-02-10T11:40:55,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr 2026-02-10T11:40:55,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr 2026-02-10T11:40:55,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2 2026-02-10T11:40:55,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2 2026-02-10T11:40:55,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe 2026-02-10T11:40:55,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe 2026-02-10T11:40:55,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3 2026-02-10T11:40:55,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3 2026-02-10T11:40:55,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2 2026-02-10T11:40:55,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2 2026-02-10T11:40:55,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:40:55,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:40:55,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6 2026-02-10T11:40:55,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6 2026-02-10T11:40:55,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe 2026-02-10T11:40:55,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe 2026-02-10T11:40:55,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3 2026-02-10T11:40:55,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3 2026-02-10T11:40:55,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf 2026-02-10T11:40:55,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf 2026-02-10T11:40:55,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6 2026-02-10T11:40:55,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6 2026-02-10T11:40:55,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr 2026-02-10T11:40:55,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr 2026-02-10T11:40:55,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr 2026-02-10T11:40:55,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr 2026-02-10T11:40:55,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne 2026-02-10T11:40:55,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne 2026-02-10T11:40:55,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:40:55,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:40:55,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3 2026-02-10T11:40:55,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3 2026-02-10T11:40:55,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz 2026-02-10T11:40:55,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz 2026-02-10T11:40:55,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4 2026-02-10T11:40:55,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4 2026-02-10T11:40:55,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar 2026-02-10T11:40:55,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar 2026-02-10T11:40:55,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:40:55,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:40:55,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2 2026-02-10T11:40:55,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2 2026-02-10T11:40:55,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4 2026-02-10T11:40:55,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4 2026-02-10T11:40:55,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:40:55,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:40:55,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1 2026-02-10T11:40:55,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1 2026-02-10T11:40:55,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:40:55,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:40:55,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2 2026-02-10T11:40:55,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2 2026-02-10T11:40:55,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:40:55,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:40:55,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:40:55,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:40:55,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8 2026-02-10T11:40:55,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8 2026-02-10T11:40:55,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9 2026-02-10T11:40:55,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9 2026-02-10T11:40:55,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1 2026-02-10T11:40:55,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1 2026-02-10T11:40:55,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2 2026-02-10T11:40:55,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2 2026-02-10T11:40:55,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:40:55,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:40:55,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7 2026-02-10T11:40:55,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7 2026-02-10T11:40:55,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5 2026-02-10T11:40:55,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5 2026-02-10T11:40:55,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:40:55,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:40:55,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5 2026-02-10T11:40:55,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5 2026-02-10T11:40:55,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4 2026-02-10T11:40:55,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4 2026-02-10T11:40:55,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o 2026-02-10T11:40:55,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o 2026-02-10T11:40:55,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:40:55,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:40:55,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9 2026-02-10T11:40:55,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9 2026-02-10T11:40:55,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3 2026-02-10T11:40:55,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3 2026-02-10T11:40:55,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3 2026-02-10T11:40:55,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3 2026-02-10T11:40:55,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:40:55,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:40:55,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4 2026-02-10T11:40:55,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4 2026-02-10T11:40:55,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:40:55,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:40:55,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8 2026-02-10T11:40:55,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8 2026-02-10T11:40:55,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6 2026-02-10T11:40:55,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6 2026-02-10T11:40:55,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7 2026-02-10T11:40:55,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7 2026-02-10T11:40:55,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6 2026-02-10T11:40:55,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6 2026-02-10T11:40:55,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:40:55,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:40:55,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1 2026-02-10T11:40:55,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1 2026-02-10T11:40:55,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A 2026-02-10T11:40:55,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A 2026-02-10T11:40:55,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B 2026-02-10T11:40:55,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B 2026-02-10T11:40:55,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A 2026-02-10T11:40:55,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A 2026-02-10T11:40:55,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B 2026-02-10T11:40:55,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B 2026-02-10T11:40:55,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B 2026-02-10T11:40:55,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B 2026-02-10T11:40:55,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4 2026-02-10T11:40:55,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4 2026-02-10T11:40:55,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A 2026-02-10T11:40:55,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A 2026-02-10T11:40:55,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A 2026-02-10T11:40:55,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A 2026-02-10T11:40:55,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12 2026-02-10T11:40:55,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12 2026-02-10T11:40:55,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A 2026-02-10T11:40:55,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A 2026-02-10T11:40:55,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18 2026-02-10T11:40:55,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18 2026-02-10T11:40:55,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A 2026-02-10T11:40:55,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A 2026-02-10T11:40:55,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13 2026-02-10T11:40:55,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13 2026-02-10T11:40:55,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A 2026-02-10T11:40:55,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A 2026-02-10T11:40:55,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B 2026-02-10T11:40:55,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B 2026-02-10T11:40:55,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A 2026-02-10T11:40:55,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A 2026-02-10T11:40:55,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A 2026-02-10T11:40:55,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A 2026-02-10T11:40:55,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B 2026-02-10T11:40:55,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B 2026-02-10T11:40:55,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A 2026-02-10T11:40:55,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A 2026-02-10T11:40:55,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A 2026-02-10T11:40:55,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A 2026-02-10T11:40:55,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20 2026-02-10T11:40:55,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20 2026-02-10T11:40:55,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3 2026-02-10T11:40:55,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3 2026-02-10T11:40:55,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A 2026-02-10T11:40:55,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A 2026-02-10T11:40:55,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B 2026-02-10T11:40:55,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B 2026-02-10T11:40:55,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A 2026-02-10T11:40:55,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A 2026-02-10T11:40:55,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B 2026-02-10T11:40:55,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B 2026-02-10T11:40:55,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A 2026-02-10T11:40:55,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A 2026-02-10T11:40:55,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B 2026-02-10T11:40:55,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B 2026-02-10T11:40:55,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16 2026-02-10T11:40:55,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16 2026-02-10T11:40:55,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B 2026-02-10T11:40:55,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B 2026-02-10T11:40:55,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B 2026-02-10T11:40:55,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B 2026-02-10T11:40:55,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A 2026-02-10T11:40:55,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A 2026-02-10T11:40:55,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B 2026-02-10T11:40:55,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B 2026-02-10T11:40:55,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A 2026-02-10T11:40:55,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A 2026-02-10T11:40:55,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B 2026-02-10T11:40:55,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B 2026-02-10T11:40:55,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B 2026-02-10T11:40:55,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B 2026-02-10T11:40:55,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9 2026-02-10T11:40:55,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9 2026-02-10T11:40:55,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A 2026-02-10T11:40:55,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A 2026-02-10T11:40:55,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A 2026-02-10T11:40:55,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A 2026-02-10T11:40:55,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A 2026-02-10T11:40:55,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A 2026-02-10T11:40:55,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7 2026-02-10T11:40:55,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7 2026-02-10T11:40:55,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10 2026-02-10T11:40:55,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10 2026-02-10T11:40:55,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B 2026-02-10T11:40:55,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B 2026-02-10T11:40:55,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6 2026-02-10T11:40:55,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6 2026-02-10T11:40:55,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B 2026-02-10T11:40:55,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B 2026-02-10T11:40:55,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A 2026-02-10T11:40:55,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A 2026-02-10T11:40:55,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A 2026-02-10T11:40:55,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A 2026-02-10T11:40:55,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B 2026-02-10T11:40:55,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B 2026-02-10T11:40:55,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B 2026-02-10T11:40:55,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B 2026-02-10T11:40:55,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B 2026-02-10T11:40:55,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B 2026-02-10T11:40:55,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11 2026-02-10T11:40:55,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11 2026-02-10T11:40:55,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B 2026-02-10T11:40:55,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B 2026-02-10T11:40:55,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5 2026-02-10T11:40:55,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5 2026-02-10T11:40:55,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15 2026-02-10T11:40:55,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15 2026-02-10T11:40:55,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B 2026-02-10T11:40:55,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B 2026-02-10T11:40:55,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17 2026-02-10T11:40:55,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17 2026-02-10T11:40:55,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21 2026-02-10T11:40:55,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21 2026-02-10T11:40:55,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B 2026-02-10T11:40:55,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B 2026-02-10T11:40:55,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2 2026-02-10T11:40:55,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2 2026-02-10T11:40:55,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14 2026-02-10T11:40:55,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14 2026-02-10T11:40:55,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19 2026-02-10T11:40:55,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19 2026-02-10T11:40:55,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8 2026-02-10T11:40:55,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8 2026-02-10T11:40:55,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts 2026-02-10T11:40:55,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts 2026-02-10T11:40:55,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1 2026-02-10T11:40:55,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1 2026-02-10T11:40:55,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6 2026-02-10T11:40:55,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6 2026-02-10T11:40:55,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:40:55,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:40:55,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts 2026-02-10T11:40:55,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts 2026-02-10T11:40:55,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6 2026-02-10T11:40:55,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6 2026-02-10T11:40:55,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r 2026-02-10T11:40:55,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r 2026-02-10T11:40:55,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:40:55,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:40:55,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:40:56,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:40:56,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:40:56,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:40:56,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:40:56,006 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 2026-02-10T11:40:56,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7 2026-02-10T11:40:56,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7 2026-02-10T11:40:56,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:40:56,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:40:56,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r 2026-02-10T11:40:56,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r 2026-02-10T11:40:56,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5 2026-02-10T11:40:56,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5 2026-02-10T11:40:56,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r 2026-02-10T11:40:56,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r 2026-02-10T11:40:56,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3 2026-02-10T11:40:56,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3 2026-02-10T11:40:56,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:40:56,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:40:56,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:40:56,031 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 2026-02-10T11:40:56,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:40:56,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:40:56,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts 2026-02-10T11:40:56,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts 2026-02-10T11:40:56,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:40:56,041 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 2026-02-10T11:40:56,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts 2026-02-10T11:40:56,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts 2026-02-10T11:40:56,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5 2026-02-10T11:40:56,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5 2026-02-10T11:40:56,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2 2026-02-10T11:40:56,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2 2026-02-10T11:40:56,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:40:56,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:40:56,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3 2026-02-10T11:40:56,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3 2026-02-10T11:40:56,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11 2026-02-10T11:40:56,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11 2026-02-10T11:40:56,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:40:56,064 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 2026-02-10T11:40:56,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts 2026-02-10T11:40:56,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts 2026-02-10T11:40:56,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts 2026-02-10T11:40:56,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts 2026-02-10T11:40:56,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:40:56,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:40:56,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:40:56,079 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 2026-02-10T11:40:56,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:40:56,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:40:56,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts 2026-02-10T11:40:56,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts 2026-02-10T11:40:56,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r 2026-02-10T11:40:56,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r 2026-02-10T11:40:56,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:40:56,091 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 2026-02-10T11:40:56,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r 2026-02-10T11:40:56,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r 2026-02-10T11:40:56,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:40:56,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:40:56,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts 2026-02-10T11:40:56,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts 2026-02-10T11:40:56,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4 2026-02-10T11:40:56,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4 2026-02-10T11:40:56,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8 2026-02-10T11:40:56,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8 2026-02-10T11:40:56,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:40:56,110 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 2026-02-10T11:40:56,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:40:56,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:40:56,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4 2026-02-10T11:40:56,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4 2026-02-10T11:40:56,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9 2026-02-10T11:40:56,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9 2026-02-10T11:40:56,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r 2026-02-10T11:40:56,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r 2026-02-10T11:40:56,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:40:56,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:40:56,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts 2026-02-10T11:40:56,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts 2026-02-10T11:40:56,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7 2026-02-10T11:40:56,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7 2026-02-10T11:40:56,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:40:56,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:40:56,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8 2026-02-10T11:40:56,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8 2026-02-10T11:40:56,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:40:56,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:40:56,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10 2026-02-10T11:40:56,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10 2026-02-10T11:40:56,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:40:56,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:40:56,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r 2026-02-10T11:40:56,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r 2026-02-10T11:40:56,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r 2026-02-10T11:40:56,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r 2026-02-10T11:40:56,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9 2026-02-10T11:40:56,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9 2026-02-10T11:40:56,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:40:56,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:40:56,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1 2026-02-10T11:40:56,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1 2026-02-10T11:40:56,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2 2026-02-10T11:40:56,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2 2026-02-10T11:40:56,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13 2026-02-10T11:40:56,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13 2026-02-10T11:40:56,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15 2026-02-10T11:40:56,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15 2026-02-10T11:40:56,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8 2026-02-10T11:40:56,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8 2026-02-10T11:40:56,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2 2026-02-10T11:40:56,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2 2026-02-10T11:40:56,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1 2026-02-10T11:40:56,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1 2026-02-10T11:40:56,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11 2026-02-10T11:40:56,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11 2026-02-10T11:40:56,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4 2026-02-10T11:40:56,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4 2026-02-10T11:40:56,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7 2026-02-10T11:40:56,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7 2026-02-10T11:40:56,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3 2026-02-10T11:40:56,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3 2026-02-10T11:40:56,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12 2026-02-10T11:40:56,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12 2026-02-10T11:40:56,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4 2026-02-10T11:40:56,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4 2026-02-10T11:40:56,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5 2026-02-10T11:40:56,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5 2026-02-10T11:40:56,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6 2026-02-10T11:40:56,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6 2026-02-10T11:40:56,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1 2026-02-10T11:40:56,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1 2026-02-10T11:40:56,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10 2026-02-10T11:40:56,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10 2026-02-10T11:40:56,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3 2026-02-10T11:40:56,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3 2026-02-10T11:40:56,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14 2026-02-10T11:40:56,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14 2026-02-10T11:40:56,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2 2026-02-10T11:40:56,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2 2026-02-10T11:40:56,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9 2026-02-10T11:40:56,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9 2026-02-10T11:40:56,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1 2026-02-10T11:40:56,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1 2026-02-10T11:40:56,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36 2026-02-10T11:40:56,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36 2026-02-10T11:40:56,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4 2026-02-10T11:40:56,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4 2026-02-10T11:40:56,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12 2026-02-10T11:40:56,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12 2026-02-10T11:40:56,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27 2026-02-10T11:40:56,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27 2026-02-10T11:40:56,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18 2026-02-10T11:40:56,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18 2026-02-10T11:40:56,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34 2026-02-10T11:40:56,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34 2026-02-10T11:40:56,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13 2026-02-10T11:40:56,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13 2026-02-10T11:40:56,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48 2026-02-10T11:40:56,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48 2026-02-10T11:40:56,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45 2026-02-10T11:40:56,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45 2026-02-10T11:40:56,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46 2026-02-10T11:40:56,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46 2026-02-10T11:40:56,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38 2026-02-10T11:40:56,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38 2026-02-10T11:40:56,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49 2026-02-10T11:40:56,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49 2026-02-10T11:40:56,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20 2026-02-10T11:40:56,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20 2026-02-10T11:40:56,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3 2026-02-10T11:40:56,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3 2026-02-10T11:40:56,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41 2026-02-10T11:40:56,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41 2026-02-10T11:40:56,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16 2026-02-10T11:40:56,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16 2026-02-10T11:40:56,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44 2026-02-10T11:40:56,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44 2026-02-10T11:40:56,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25 2026-02-10T11:40:56,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25 2026-02-10T11:40:56,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30 2026-02-10T11:40:56,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30 2026-02-10T11:40:56,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9 2026-02-10T11:40:56,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9 2026-02-10T11:40:56,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43 2026-02-10T11:40:56,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43 2026-02-10T11:40:56,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37 2026-02-10T11:40:56,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37 2026-02-10T11:40:56,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22 2026-02-10T11:40:56,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22 2026-02-10T11:40:56,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7 2026-02-10T11:40:56,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7 2026-02-10T11:40:56,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23 2026-02-10T11:40:56,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23 2026-02-10T11:40:56,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10 2026-02-10T11:40:56,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10 2026-02-10T11:40:56,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47 2026-02-10T11:40:56,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47 2026-02-10T11:40:56,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28 2026-02-10T11:40:56,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28 2026-02-10T11:40:56,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26 2026-02-10T11:40:56,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26 2026-02-10T11:40:56,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6 2026-02-10T11:40:56,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6 2026-02-10T11:40:56,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40 2026-02-10T11:40:56,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40 2026-02-10T11:40:56,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50 2026-02-10T11:40:56,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50 2026-02-10T11:40:56,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51 2026-02-10T11:40:56,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51 2026-02-10T11:40:56,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11 2026-02-10T11:40:56,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11 2026-02-10T11:40:56,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32 2026-02-10T11:40:56,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32 2026-02-10T11:40:56,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5 2026-02-10T11:40:56,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5 2026-02-10T11:40:56,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24 2026-02-10T11:40:56,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24 2026-02-10T11:40:56,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15 2026-02-10T11:40:56,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15 2026-02-10T11:40:56,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17 2026-02-10T11:40:56,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17 2026-02-10T11:40:56,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21 2026-02-10T11:40:56,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21 2026-02-10T11:40:56,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52 2026-02-10T11:40:56,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52 2026-02-10T11:40:56,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42 2026-02-10T11:40:56,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42 2026-02-10T11:40:56,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2 2026-02-10T11:40:56,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2 2026-02-10T11:40:56,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39 2026-02-10T11:40:56,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39 2026-02-10T11:40:56,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35 2026-02-10T11:40:56,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35 2026-02-10T11:40:56,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14 2026-02-10T11:40:56,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14 2026-02-10T11:40:56,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19 2026-02-10T11:40:56,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19 2026-02-10T11:40:56,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33 2026-02-10T11:40:56,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33 2026-02-10T11:40:56,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29 2026-02-10T11:40:56,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29 2026-02-10T11:40:56,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8 2026-02-10T11:40:56,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8 2026-02-10T11:40:56,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31 2026-02-10T11:40:56,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31 2026-02-10T11:40:56,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A 2026-02-10T11:40:56,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A 2026-02-10T11:40:56,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A 2026-02-10T11:40:56,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A 2026-02-10T11:40:56,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27 2026-02-10T11:40:56,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27 2026-02-10T11:40:56,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B 2026-02-10T11:40:56,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B 2026-02-10T11:40:56,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A 2026-02-10T11:40:56,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A 2026-02-10T11:40:56,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B 2026-02-10T11:40:56,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B 2026-02-10T11:40:56,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A 2026-02-10T11:40:56,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A 2026-02-10T11:40:56,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25 2026-02-10T11:40:56,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25 2026-02-10T11:40:56,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22 2026-02-10T11:40:56,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22 2026-02-10T11:40:56,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23 2026-02-10T11:40:56,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23 2026-02-10T11:40:56,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A 2026-02-10T11:40:56,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A 2026-02-10T11:40:56,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A 2026-02-10T11:40:56,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A 2026-02-10T11:40:56,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B 2026-02-10T11:40:56,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B 2026-02-10T11:40:56,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26 2026-02-10T11:40:56,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26 2026-02-10T11:40:56,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B 2026-02-10T11:40:56,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B 2026-02-10T11:40:56,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24 2026-02-10T11:40:56,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24 2026-02-10T11:40:56,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B 2026-02-10T11:40:56,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B 2026-02-10T11:40:56,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B 2026-02-10T11:40:56,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B 2026-02-10T11:40:56,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me 2026-02-10T11:40:56,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me 2026-02-10T11:40:56,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+ 2026-02-10T11:40:56,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+ 2026-02-10T11:40:56,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8 2026-02-10T11:40:56,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8 2026-02-10T11:40:56,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+ 2026-02-10T11:40:56,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+ 2026-02-10T11:40:56,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch 2026-02-10T11:40:56,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch 2026-02-10T11:40:56,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:40:56,477 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 2026-02-10T11:40:56,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c 2026-02-10T11:40:56,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c 2026-02-10T11:40:56,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:40:56,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:40:56,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:40:56,487 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 2026-02-10T11:40:56,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me 2026-02-10T11:40:56,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me 2026-02-10T11:40:56,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h 2026-02-10T11:40:56,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h 2026-02-10T11:40:56,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2 2026-02-10T11:40:56,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2 2026-02-10T11:40:56,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4 2026-02-10T11:40:56,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4 2026-02-10T11:40:56,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2 2026-02-10T11:40:56,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2 2026-02-10T11:40:56,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2 2026-02-10T11:40:56,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2 2026-02-10T11:40:56,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8 2026-02-10T11:40:56,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8 2026-02-10T11:40:56,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:40:56,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:40:56,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1 2026-02-10T11:40:56,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1 2026-02-10T11:40:56,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4 2026-02-10T11:40:56,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4 2026-02-10T11:40:56,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3 2026-02-10T11:40:56,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3 2026-02-10T11:40:56,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9 2026-02-10T11:40:56,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9 2026-02-10T11:40:56,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7 2026-02-10T11:40:56,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7 2026-02-10T11:40:56,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10 2026-02-10T11:40:56,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10 2026-02-10T11:40:56,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6 2026-02-10T11:40:56,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6 2026-02-10T11:40:56,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5 2026-02-10T11:40:56,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5 2026-02-10T11:40:56,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2 2026-02-10T11:40:56,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2 2026-02-10T11:40:56,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8 2026-02-10T11:40:56,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8 2026-02-10T11:40:56,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts 2026-02-10T11:40:56,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts 2026-02-10T11:40:56,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20 2026-02-10T11:40:56,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20 2026-02-10T11:40:56,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8 2026-02-10T11:40:56,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8 2026-02-10T11:40:56,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh 2026-02-10T11:40:56,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh 2026-02-10T11:40:56,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc 2026-02-10T11:40:56,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc 2026-02-10T11:40:56,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh- 2026-02-10T11:40:56,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh- 2026-02-10T11:40:56,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19 2026-02-10T11:40:56,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19 2026-02-10T11:40:56,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts 2026-02-10T11:40:56,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts 2026-02-10T11:40:56,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:40:56,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:40:56,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf 2026-02-10T11:40:56,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf 2026-02-10T11:40:56,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co 2026-02-10T11:40:56,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co 2026-02-10T11:40:56,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots 2026-02-10T11:40:56,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots 2026-02-10T11:40:56,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:40:56,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:40:56,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07 2026-02-10T11:40:56,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07 2026-02-10T11:40:56,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts 2026-02-10T11:40:56,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts 2026-02-10T11:40:56,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2 2026-02-10T11:40:56,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2 2026-02-10T11:40:56,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:40:56,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:40:56,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4 2026-02-10T11:40:56,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4 2026-02-10T11:40:56,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f- 2026-02-10T11:40:56,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f- 2026-02-10T11:40:56,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O 2026-02-10T11:40:56,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O 2026-02-10T11:40:56,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2 2026-02-10T11:40:56,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2 2026-02-10T11:40:56,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2 2026-02-10T11:40:56,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2 2026-02-10T11:40:56,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3 2026-02-10T11:40:56,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3 2026-02-10T11:40:56,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17 2026-02-10T11:40:56,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17 2026-02-10T11:40:56,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22 2026-02-10T11:40:56,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22 2026-02-10T11:40:56,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14 2026-02-10T11:40:56,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14 2026-02-10T11:40:56,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13 2026-02-10T11:40:56,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13 2026-02-10T11:40:56,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H 2026-02-10T11:40:56,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H 2026-02-10T11:40:56,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:40:56,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:40:56,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS 2026-02-10T11:40:56,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS 2026-02-10T11:40:56,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl- 2026-02-10T11:40:56,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl- 2026-02-10T11:40:56,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:40:56,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:40:56,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S 2026-02-10T11:40:56,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S 2026-02-10T11:40:56,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf 2026-02-10T11:40:56,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf 2026-02-10T11:40:56,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04 2026-02-10T11:40:56,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04 2026-02-10T11:40:56,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3 2026-02-10T11:40:56,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3 2026-02-10T11:40:56,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02 2026-02-10T11:40:56,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02 2026-02-10T11:40:56,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco 2026-02-10T11:40:56,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco 2026-02-10T11:40:56,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16 2026-02-10T11:40:56,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16 2026-02-10T11:40:56,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h 2026-02-10T11:40:56,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h 2026-02-10T11:40:56,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18 2026-02-10T11:40:56,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18 2026-02-10T11:40:56,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:40:56,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:40:56,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6 2026-02-10T11:40:56,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6 2026-02-10T11:40:56,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts 2026-02-10T11:40:56,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts 2026-02-10T11:40:56,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4 2026-02-10T11:40:56,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4 2026-02-10T11:40:56,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2 2026-02-10T11:40:56,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2 2026-02-10T11:40:56,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11 2026-02-10T11:40:56,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11 2026-02-10T11:40:56,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts 2026-02-10T11:40:56,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts 2026-02-10T11:40:56,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts 2026-02-10T11:40:56,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts 2026-02-10T11:40:56,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01 2026-02-10T11:40:56,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01 2026-02-10T11:40:56,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10 2026-02-10T11:40:56,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10 2026-02-10T11:40:56,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts 2026-02-10T11:40:56,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts 2026-02-10T11:40:56,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH 2026-02-10T11:40:56,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH 2026-02-10T11:40:56,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts 2026-02-10T11:40:56,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts 2026-02-10T11:40:56,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2 2026-02-10T11:40:56,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2 2026-02-10T11:40:56,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5 2026-02-10T11:40:56,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5 2026-02-10T11:40:56,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12 2026-02-10T11:40:56,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12 2026-02-10T11:40:56,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06 2026-02-10T11:40:56,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06 2026-02-10T11:40:56,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh 2026-02-10T11:40:56,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh 2026-02-10T11:40:56,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15 2026-02-10T11:40:56,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15 2026-02-10T11:40:56,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7 2026-02-10T11:40:56,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7 2026-02-10T11:40:56,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O 2026-02-10T11:40:56,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O 2026-02-10T11:40:56,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08 2026-02-10T11:40:56,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08 2026-02-10T11:40:56,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts 2026-02-10T11:40:56,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts 2026-02-10T11:40:56,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05 2026-02-10T11:40:56,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05 2026-02-10T11:40:56,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts 2026-02-10T11:40:56,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts 2026-02-10T11:40:56,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f 2026-02-10T11:40:56,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f 2026-02-10T11:40:56,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl 2026-02-10T11:40:56,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl 2026-02-10T11:40:56,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2 2026-02-10T11:40:56,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2 2026-02-10T11:40:56,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts 2026-02-10T11:40:56,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts 2026-02-10T11:40:56,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts 2026-02-10T11:40:56,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts 2026-02-10T11:40:56,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03 2026-02-10T11:40:56,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03 2026-02-10T11:40:56,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts 2026-02-10T11:40:56,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts 2026-02-10T11:40:56,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts 2026-02-10T11:40:56,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts 2026-02-10T11:40:56,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts 2026-02-10T11:40:56,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts 2026-02-10T11:40:56,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2 2026-02-10T11:40:56,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2 2026-02-10T11:40:56,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o 2026-02-10T11:40:56,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o 2026-02-10T11:40:56,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl 2026-02-10T11:40:56,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl 2026-02-10T11:40:56,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f 2026-02-10T11:40:56,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f 2026-02-10T11:40:56,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3 2026-02-10T11:40:56,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3 2026-02-10T11:40:56,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21 2026-02-10T11:40:56,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21 2026-02-10T11:40:56,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn 2026-02-10T11:40:56,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn 2026-02-10T11:40:56,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl 2026-02-10T11:40:56,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl 2026-02-10T11:40:56,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5 2026-02-10T11:40:56,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5 2026-02-10T11:40:56,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH 2026-02-10T11:40:56,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH 2026-02-10T11:40:56,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09 2026-02-10T11:40:56,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09 2026-02-10T11:40:56,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL 2026-02-10T11:40:56,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL 2026-02-10T11:40:56,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:40:56,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:40:56,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:40:56,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:40:56,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N 2026-02-10T11:40:56,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N 2026-02-10T11:40:56,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:40:56,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:40:56,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:40:56,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:40:56,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:40:56,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:40:56,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:40:56,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:40:56,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:40:56,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:40:56,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:40:56,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:40:56,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:40:56,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:40:56,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:40:56,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:40:56,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O 2026-02-10T11:40:56,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O 2026-02-10T11:40:56,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:40:56,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:40:56,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N 2026-02-10T11:40:56,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N 2026-02-10T11:40:56,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N 2026-02-10T11:40:56,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N 2026-02-10T11:40:56,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:40:56,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:40:56,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:40:56,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:40:56,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL 2026-02-10T11:40:56,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL 2026-02-10T11:40:56,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:40:56,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:40:56,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:40:56,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:40:56,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:40:56,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:40:56,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:40:56,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:40:56,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:40:56,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:40:56,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL 2026-02-10T11:40:56,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL 2026-02-10T11:40:56,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:40:56,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:40:56,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O 2026-02-10T11:40:56,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O 2026-02-10T11:40:56,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:40:56,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:40:56,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O 2026-02-10T11:40:56,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O 2026-02-10T11:40:56,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:40:56,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:40:56,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:40:56,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:40:56,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:40:56,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:40:56,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:40:56,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:40:56,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL 2026-02-10T11:40:56,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL 2026-02-10T11:40:56,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N 2026-02-10T11:40:56,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N 2026-02-10T11:40:56,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O 2026-02-10T11:40:56,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O 2026-02-10T11:40:56,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37 2026-02-10T11:40:56,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37 2026-02-10T11:40:56,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41 2026-02-10T11:40:56,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41 2026-02-10T11:40:56,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25 2026-02-10T11:40:56,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25 2026-02-10T11:40:56,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39 2026-02-10T11:40:56,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39 2026-02-10T11:40:56,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45 2026-02-10T11:40:56,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45 2026-02-10T11:40:56,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24 2026-02-10T11:40:56,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24 2026-02-10T11:40:56,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23 2026-02-10T11:40:56,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23 2026-02-10T11:40:56,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19 2026-02-10T11:40:56,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19 2026-02-10T11:40:56,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21 2026-02-10T11:40:56,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21 2026-02-10T11:40:56,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45 2026-02-10T11:40:56,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45 2026-02-10T11:40:56,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26 2026-02-10T11:40:56,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26 2026-02-10T11:40:56,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40 2026-02-10T11:40:56,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40 2026-02-10T11:40:56,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44 2026-02-10T11:40:56,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44 2026-02-10T11:40:56,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37 2026-02-10T11:40:56,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37 2026-02-10T11:40:56,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9 2026-02-10T11:40:56,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9 2026-02-10T11:40:56,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3 2026-02-10T11:40:56,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3 2026-02-10T11:40:57,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6 2026-02-10T11:40:57,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6 2026-02-10T11:40:57,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4 2026-02-10T11:40:57,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4 2026-02-10T11:40:57,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20 2026-02-10T11:40:57,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20 2026-02-10T11:40:57,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27 2026-02-10T11:40:57,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27 2026-02-10T11:40:57,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43 2026-02-10T11:40:57,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43 2026-02-10T11:40:57,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6 2026-02-10T11:40:57,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6 2026-02-10T11:40:57,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36 2026-02-10T11:40:57,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36 2026-02-10T11:40:57,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26 2026-02-10T11:40:57,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26 2026-02-10T11:40:57,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36 2026-02-10T11:40:57,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36 2026-02-10T11:40:57,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30 2026-02-10T11:40:57,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30 2026-02-10T11:40:57,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22 2026-02-10T11:40:57,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22 2026-02-10T11:40:57,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10 2026-02-10T11:40:57,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10 2026-02-10T11:40:57,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20 2026-02-10T11:40:57,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20 2026-02-10T11:40:57,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11 2026-02-10T11:40:57,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11 2026-02-10T11:40:57,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7 2026-02-10T11:40:57,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7 2026-02-10T11:40:57,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34 2026-02-10T11:40:57,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34 2026-02-10T11:40:57,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7 2026-02-10T11:40:57,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7 2026-02-10T11:40:57,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32 2026-02-10T11:40:57,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32 2026-02-10T11:40:57,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30 2026-02-10T11:40:57,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30 2026-02-10T11:40:57,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44 2026-02-10T11:40:57,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44 2026-02-10T11:40:57,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42 2026-02-10T11:40:57,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42 2026-02-10T11:40:57,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1 2026-02-10T11:40:57,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1 2026-02-10T11:40:57,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12 2026-02-10T11:40:57,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12 2026-02-10T11:40:57,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4 2026-02-10T11:40:57,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4 2026-02-10T11:40:57,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43 2026-02-10T11:40:57,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43 2026-02-10T11:40:57,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15 2026-02-10T11:40:57,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15 2026-02-10T11:40:57,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15 2026-02-10T11:40:57,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15 2026-02-10T11:40:57,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2 2026-02-10T11:40:57,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2 2026-02-10T11:40:57,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22 2026-02-10T11:40:57,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22 2026-02-10T11:40:57,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23 2026-02-10T11:40:57,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23 2026-02-10T11:40:57,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38 2026-02-10T11:40:57,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38 2026-02-10T11:40:57,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24 2026-02-10T11:40:57,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24 2026-02-10T11:40:57,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16 2026-02-10T11:40:57,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16 2026-02-10T11:40:57,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34 2026-02-10T11:40:57,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34 2026-02-10T11:40:57,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10 2026-02-10T11:40:57,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10 2026-02-10T11:40:57,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17 2026-02-10T11:40:57,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17 2026-02-10T11:40:57,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17 2026-02-10T11:40:57,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17 2026-02-10T11:40:57,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3 2026-02-10T11:40:57,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3 2026-02-10T11:40:57,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35 2026-02-10T11:40:57,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35 2026-02-10T11:40:57,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21 2026-02-10T11:40:57,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21 2026-02-10T11:40:57,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27 2026-02-10T11:40:57,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27 2026-02-10T11:40:57,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13 2026-02-10T11:40:57,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13 2026-02-10T11:40:57,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5 2026-02-10T11:40:57,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5 2026-02-10T11:40:57,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31 2026-02-10T11:40:57,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31 2026-02-10T11:40:57,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35 2026-02-10T11:40:57,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35 2026-02-10T11:40:57,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8 2026-02-10T11:40:57,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8 2026-02-10T11:40:57,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29 2026-02-10T11:40:57,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29 2026-02-10T11:40:57,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1 2026-02-10T11:40:57,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1 2026-02-10T11:40:57,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2 2026-02-10T11:40:57,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2 2026-02-10T11:40:57,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42 2026-02-10T11:40:57,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42 2026-02-10T11:40:57,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5 2026-02-10T11:40:57,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5 2026-02-10T11:40:57,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33 2026-02-10T11:40:57,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33 2026-02-10T11:40:57,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38 2026-02-10T11:40:57,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38 2026-02-10T11:40:57,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31 2026-02-10T11:40:57,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31 2026-02-10T11:40:57,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33 2026-02-10T11:40:57,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33 2026-02-10T11:40:57,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16 2026-02-10T11:40:57,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16 2026-02-10T11:40:57,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9 2026-02-10T11:40:57,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9 2026-02-10T11:40:57,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11 2026-02-10T11:40:57,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11 2026-02-10T11:40:57,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12 2026-02-10T11:40:57,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12 2026-02-10T11:40:57,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8 2026-02-10T11:40:57,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8 2026-02-10T11:40:57,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29 2026-02-10T11:40:57,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29 2026-02-10T11:40:57,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25 2026-02-10T11:40:57,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25 2026-02-10T11:40:57,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13 2026-02-10T11:40:57,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13 2026-02-10T11:40:57,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40 2026-02-10T11:40:57,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40 2026-02-10T11:40:57,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28 2026-02-10T11:40:57,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28 2026-02-10T11:40:57,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18 2026-02-10T11:40:57,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18 2026-02-10T11:40:57,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41 2026-02-10T11:40:57,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41 2026-02-10T11:40:57,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19 2026-02-10T11:40:57,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19 2026-02-10T11:40:57,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18 2026-02-10T11:40:57,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18 2026-02-10T11:40:57,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39 2026-02-10T11:40:57,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39 2026-02-10T11:40:57,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32 2026-02-10T11:40:57,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32 2026-02-10T11:40:57,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28 2026-02-10T11:40:57,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28 2026-02-10T11:40:57,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo 2026-02-10T11:40:57,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo 2026-02-10T11:40:57,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef 2026-02-10T11:40:57,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef 2026-02-10T11:40:57,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:40:57,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:40:57,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o 2026-02-10T11:40:57,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o 2026-02-10T11:40:57,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be 2026-02-10T11:40:57,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be 2026-02-10T11:40:57,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na 2026-02-10T11:40:57,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na 2026-02-10T11:40:57,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf 2026-02-10T11:40:57,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf 2026-02-10T11:40:57,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao 2026-02-10T11:40:57,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao 2026-02-10T11:40:57,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h 2026-02-10T11:40:57,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h 2026-02-10T11:40:57,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca 2026-02-10T11:40:57,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca 2026-02-10T11:40:57,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li 2026-02-10T11:40:57,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li 2026-02-10T11:40:57,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s 2026-02-10T11:40:57,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s 2026-02-10T11:40:57,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k 2026-02-10T11:40:57,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k 2026-02-10T11:40:57,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg 2026-02-10T11:40:57,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg 2026-02-10T11:40:57,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf 2026-02-10T11:40:57,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf 2026-02-10T11:40:57,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f 2026-02-10T11:40:57,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f 2026-02-10T11:40:57,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:40:57,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:40:57,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao 2026-02-10T11:40:57,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao 2026-02-10T11:40:57,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio 2026-02-10T11:40:57,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio 2026-02-10T11:40:57,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif 2026-02-10T11:40:57,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif 2026-02-10T11:40:57,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1 2026-02-10T11:40:57,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1 2026-02-10T11:40:57,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128 2026-02-10T11:40:57,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128 2026-02-10T11:40:57,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18 2026-02-10T11:40:57,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18 2026-02-10T11:40:57,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117 2026-02-10T11:40:57,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117 2026-02-10T11:40:57,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97 2026-02-10T11:40:57,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97 2026-02-10T11:40:57,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34 2026-02-10T11:40:57,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34 2026-02-10T11:40:57,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13 2026-02-10T11:40:57,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13 2026-02-10T11:40:57,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126 2026-02-10T11:40:57,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126 2026-02-10T11:40:57,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94 2026-02-10T11:40:57,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94 2026-02-10T11:40:57,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62 2026-02-10T11:40:57,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62 2026-02-10T11:40:57,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82 2026-02-10T11:40:57,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82 2026-02-10T11:40:57,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45 2026-02-10T11:40:57,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45 2026-02-10T11:40:57,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104 2026-02-10T11:40:57,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104 2026-02-10T11:40:57,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66 2026-02-10T11:40:57,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66 2026-02-10T11:40:57,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61 2026-02-10T11:40:57,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61 2026-02-10T11:40:57,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118 2026-02-10T11:40:57,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118 2026-02-10T11:40:57,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59 2026-02-10T11:40:57,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59 2026-02-10T11:40:57,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73 2026-02-10T11:40:57,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73 2026-02-10T11:40:57,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100 2026-02-10T11:40:57,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100 2026-02-10T11:40:57,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88 2026-02-10T11:40:57,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88 2026-02-10T11:40:57,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25 2026-02-10T11:40:57,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25 2026-02-10T11:40:57,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30 2026-02-10T11:40:57,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30 2026-02-10T11:40:57,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67 2026-02-10T11:40:57,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67 2026-02-10T11:40:57,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57 2026-02-10T11:40:57,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57 2026-02-10T11:40:57,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56 2026-02-10T11:40:57,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56 2026-02-10T11:40:57,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22 2026-02-10T11:40:57,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22 2026-02-10T11:40:57,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23 2026-02-10T11:40:57,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23 2026-02-10T11:40:57,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47 2026-02-10T11:40:57,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47 2026-02-10T11:40:57,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26 2026-02-10T11:40:57,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26 2026-02-10T11:40:57,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6 2026-02-10T11:40:57,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6 2026-02-10T11:40:57,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40 2026-02-10T11:40:57,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40 2026-02-10T11:40:57,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51 2026-02-10T11:40:57,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51 2026-02-10T11:40:57,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11 2026-02-10T11:40:57,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11 2026-02-10T11:40:57,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32 2026-02-10T11:40:57,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32 2026-02-10T11:40:57,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106 2026-02-10T11:40:57,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106 2026-02-10T11:40:57,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24 2026-02-10T11:40:57,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24 2026-02-10T11:40:57,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121 2026-02-10T11:40:57,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121 2026-02-10T11:40:57,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21 2026-02-10T11:40:57,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21 2026-02-10T11:40:57,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60 2026-02-10T11:40:57,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60 2026-02-10T11:40:57,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52 2026-02-10T11:40:57,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52 2026-02-10T11:40:57,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39 2026-02-10T11:40:57,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39 2026-02-10T11:40:57,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113 2026-02-10T11:40:57,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113 2026-02-10T11:40:57,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14 2026-02-10T11:40:57,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14 2026-02-10T11:40:57,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33 2026-02-10T11:40:57,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33 2026-02-10T11:40:57,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68 2026-02-10T11:40:57,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68 2026-02-10T11:40:57,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58 2026-02-10T11:40:57,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58 2026-02-10T11:40:57,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8 2026-02-10T11:40:57,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8 2026-02-10T11:40:57,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane 2026-02-10T11:40:57,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane 2026-02-10T11:40:57,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:40:57,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:40:57,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran 2026-02-10T11:40:57,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran 2026-02-10T11:40:57,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:40:57,468 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 2026-02-10T11:40:57,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:40:57,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:40:57,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran 2026-02-10T11:40:57,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran 2026-02-10T11:40:57,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:40:57,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:40:57,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene 2026-02-10T11:40:57,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene 2026-02-10T11:40:57,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene 2026-02-10T11:40:57,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene 2026-02-10T11:40:57,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne 2026-02-10T11:40:57,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne 2026-02-10T11:40:57,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN 2026-02-10T11:40:57,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN 2026-02-10T11:40:57,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:40:57,493 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 2026-02-10T11:40:57,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane 2026-02-10T11:40:57,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane 2026-02-10T11:40:57,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2 2026-02-10T11:40:57,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2 2026-02-10T11:40:57,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol 2026-02-10T11:40:57,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol 2026-02-10T11:40:57,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:40:57,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:40:57,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O 2026-02-10T11:40:57,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O 2026-02-10T11:40:57,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:40:57,513 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 2026-02-10T11:40:57,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:40:57,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:40:57,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole 2026-02-10T11:40:57,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole 2026-02-10T11:40:57,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:40:57,522 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 2026-02-10T11:40:57,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:40:57,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:40:57,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:40:57,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:40:57,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione 2026-02-10T11:40:57,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione 2026-02-10T11:40:57,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN 2026-02-10T11:40:57,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN 2026-02-10T11:40:57,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene 2026-02-10T11:40:57,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene 2026-02-10T11:40:57,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:40:57,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:40:57,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol 2026-02-10T11:40:57,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol 2026-02-10T11:40:57,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S 2026-02-10T11:40:57,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S 2026-02-10T11:40:57,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:40:57,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:40:57,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO 2026-02-10T11:40:57,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO 2026-02-10T11:40:57,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:40:57,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:40:57,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:40:57,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:40:57,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:40:57,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:40:57,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine 2026-02-10T11:40:57,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine 2026-02-10T11:40:57,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2 2026-02-10T11:40:57,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2 2026-02-10T11:40:57,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:40:57,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:40:57,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO 2026-02-10T11:40:57,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO 2026-02-10T11:40:57,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:40:57,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:40:57,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:40:57,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:40:57,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:40:57,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:40:57,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene 2026-02-10T11:40:57,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene 2026-02-10T11:40:57,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane 2026-02-10T11:40:57,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane 2026-02-10T11:40:57,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:40:57,597 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 2026-02-10T11:40:57,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:40:57,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:40:57,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:40:57,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:40:57,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2 2026-02-10T11:40:57,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2 2026-02-10T11:40:57,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne 2026-02-10T11:40:57,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne 2026-02-10T11:40:57,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne 2026-02-10T11:40:57,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne 2026-02-10T11:40:57,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:40:57,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:40:57,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene 2026-02-10T11:40:57,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene 2026-02-10T11:40:57,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:40:57,623 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 2026-02-10T11:40:57,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine 2026-02-10T11:40:57,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine 2026-02-10T11:40:57,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:40:57,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:40:57,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene 2026-02-10T11:40:57,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene 2026-02-10T11:40:57,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:40:57,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:40:57,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:40:57,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:40:57,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:40:57,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:40:57,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:40:57,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:40:57,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl 2026-02-10T11:40:57,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl 2026-02-10T11:40:57,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:40:57,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:40:57,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:40:57,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:40:57,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne 2026-02-10T11:40:57,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne 2026-02-10T11:40:57,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:40:57,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:40:57,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol 2026-02-10T11:40:57,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol 2026-02-10T11:40:57,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2 2026-02-10T11:40:57,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2 2026-02-10T11:40:57,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene 2026-02-10T11:40:57,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene 2026-02-10T11:40:57,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:40:57,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:40:57,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O 2026-02-10T11:40:57,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O 2026-02-10T11:40:57,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:40:57,684 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 2026-02-10T11:40:57,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:40:57,688 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 2026-02-10T11:40:57,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene 2026-02-10T11:40:57,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene 2026-02-10T11:40:57,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane 2026-02-10T11:40:57,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane 2026-02-10T11:40:57,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:40:57,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:40:57,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:40:57,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:40:57,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:40:57,705 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 2026-02-10T11:40:57,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH 2026-02-10T11:40:57,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH 2026-02-10T11:40:57,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol 2026-02-10T11:40:57,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol 2026-02-10T11:40:57,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2 2026-02-10T11:40:57,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2 2026-02-10T11:40:57,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:40:57,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:40:57,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:40:57,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:40:57,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:40:57,726 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 2026-02-10T11:40:57,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:40:57,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:40:57,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3 2026-02-10T11:40:57,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3 2026-02-10T11:40:57,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:40:57,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:40:57,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:40:57,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:40:57,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:40:57,743 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 2026-02-10T11:40:57,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:40:57,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:40:57,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:40:57,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:40:57,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:40:57,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:40:57,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:40:57,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:40:57,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br 2026-02-10T11:40:57,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br 2026-02-10T11:40:57,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:40:57,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:40:57,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:40:57,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:40:57,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:40:57,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:40:57,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:40:57,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:40:57,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:40:57,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:40:57,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:40:57,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:40:57,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:40:57,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:40:57,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:40:57,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:40:57,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:40:57,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:40:57,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:40:57,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:40:57,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:40:57,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:40:57,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:40:57,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:40:57,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:40:57,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:40:57,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:40:57,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:40:57,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:40:57,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:40:57,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:40:57,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:40:57,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:40:57,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:40:57,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:40:57,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:40:57,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:40:57,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:40:57,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:40:57,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:40:57,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s 2026-02-10T11:40:57,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s 2026-02-10T11:40:57,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3 2026-02-10T11:40:57,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3 2026-02-10T11:40:57,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:40:57,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:40:57,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:40:57,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:40:57,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be 2026-02-10T11:40:57,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be 2026-02-10T11:40:57,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:40:57,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:40:57,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:40:57,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:40:57,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:40:57,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:40:57,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3 2026-02-10T11:40:57,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3 2026-02-10T11:40:57,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:40:57,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:40:57,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg 2026-02-10T11:40:57,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg 2026-02-10T11:40:57,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:40:57,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:40:57,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:40:57,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:40:57,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:40:57,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:40:57,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:40:57,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:40:57,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:40:57,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:40:57,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:40:57,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:40:57,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:40:57,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:40:57,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1 2026-02-10T11:40:57,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1 2026-02-10T11:40:57,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:40:57,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:40:57,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:40:57,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:40:57,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:40:57,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:40:57,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:40:57,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:40:57,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:40:57,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:40:57,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:40:57,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:40:57,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:40:57,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:40:57,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:40:57,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:40:57,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:40:57,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:40:57,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:40:57,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:40:57,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:40:57,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:40:57,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:40:57,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:40:57,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:40:57,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:40:57,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:40:57,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:40:57,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2 2026-02-10T11:40:57,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2 2026-02-10T11:40:57,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:40:57,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:40:57,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:40:57,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:40:57,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:40:57,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:40:57,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:40:57,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:40:57,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:40:57,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:40:57,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:40:57,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:40:57,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:40:57,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:40:57,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:40:57,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:40:57,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:40:57,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:40:57,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:40:57,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:40:57,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2 2026-02-10T11:40:57,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2 2026-02-10T11:40:57,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:40:57,990 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 2026-02-10T11:40:57,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:40:57,993 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 2026-02-10T11:40:57,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2 2026-02-10T11:40:57,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2 2026-02-10T11:40:57,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4 2026-02-10T11:40:57,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4 2026-02-10T11:40:58,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3 2026-02-10T11:40:58,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3 2026-02-10T11:40:58,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4 2026-02-10T11:40:58,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4 2026-02-10T11:40:58,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:40:58,008 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 2026-02-10T11:40:58,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:40:58,012 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 2026-02-10T11:40:58,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3 2026-02-10T11:40:58,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3 2026-02-10T11:40:58,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:40:58,020 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 2026-02-10T11:40:58,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5 2026-02-10T11:40:58,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5 2026-02-10T11:40:58,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:40:58,028 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 2026-02-10T11:40:58,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf 2026-02-10T11:40:58,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf 2026-02-10T11:40:58,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:40:58,035 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 2026-02-10T11:40:58,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:40:58,039 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 2026-02-10T11:40:58,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:40:58,044 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 2026-02-10T11:40:58,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6 2026-02-10T11:40:58,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6 2026-02-10T11:40:58,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4 2026-02-10T11:40:58,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4 2026-02-10T11:40:58,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o 2026-02-10T11:40:58,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o 2026-02-10T11:40:58,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6 2026-02-10T11:40:58,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6 2026-02-10T11:40:58,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:40:58,062 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 2026-02-10T11:40:58,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3 2026-02-10T11:40:58,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3 2026-02-10T11:40:58,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:40:58,068 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 2026-02-10T11:40:58,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:40:58,071 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 2026-02-10T11:40:58,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5 2026-02-10T11:40:58,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5 2026-02-10T11:40:58,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2 2026-02-10T11:40:58,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2 2026-02-10T11:40:58,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3 2026-02-10T11:40:58,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3 2026-02-10T11:40:58,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:40:58,084 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 2026-02-10T11:40:58,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:40:58,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:40:58,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:40:58,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:40:58,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:40:58,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:40:58,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s 2026-02-10T11:40:58,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s 2026-02-10T11:40:58,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3 2026-02-10T11:40:58,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3 2026-02-10T11:40:58,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:40:58,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:40:58,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:40:58,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:40:58,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:40:58,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:40:58,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:40:58,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:40:58,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:40:58,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:40:58,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:40:58,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:40:58,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:40:58,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:40:58,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o 2026-02-10T11:40:58,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o 2026-02-10T11:40:58,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:40:58,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:40:58,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi 2026-02-10T11:40:58,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi 2026-02-10T11:40:58,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:40:58,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:40:58,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:40:58,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:40:58,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:40:58,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:40:58,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:40:58,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:40:58,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:40:58,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:40:58,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:40:58,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:40:58,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:40:58,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:40:58,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr 2026-02-10T11:40:58,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr 2026-02-10T11:40:58,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:40:58,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:40:58,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:40:58,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:40:58,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3 2026-02-10T11:40:58,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3 2026-02-10T11:40:58,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:40:58,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:40:58,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:40:58,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:40:58,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:40:58,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:40:58,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:40:58,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:40:58,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl 2026-02-10T11:40:58,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl 2026-02-10T11:40:58,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:40:58,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:40:58,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:40:58,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:40:58,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:40:58,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:40:58,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:40:58,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:40:58,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:40:58,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:40:58,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:40:58,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:40:58,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2 2026-02-10T11:40:58,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2 2026-02-10T11:40:58,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2 2026-02-10T11:40:58,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2 2026-02-10T11:40:58,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l 2026-02-10T11:40:58,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l 2026-02-10T11:40:58,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f 2026-02-10T11:40:58,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f 2026-02-10T11:40:58,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1 2026-02-10T11:40:58,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1 2026-02-10T11:40:58,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant 2026-02-10T11:40:58,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant 2026-02-10T11:40:58,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2 2026-02-10T11:40:58,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2 2026-02-10T11:40:58,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l 2026-02-10T11:40:58,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l 2026-02-10T11:40:58,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene 2026-02-10T11:40:58,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene 2026-02-10T11:40:58,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22 2026-02-10T11:40:58,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22 2026-02-10T11:40:58,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1 2026-02-10T11:40:58,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1 2026-02-10T11:40:58,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f 2026-02-10T11:40:58,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f 2026-02-10T11:40:58,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer 2026-02-10T11:40:58,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer 2026-02-10T11:40:58,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2 2026-02-10T11:40:58,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2 2026-02-10T11:40:58,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:40:58,259 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 2026-02-10T11:40:58,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:40:58,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:40:58,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:40:58,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:40:58,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:40:58,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:40:58,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:40:58,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:40:58,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:40:58,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:40:58,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3 2026-02-10T11:40:58,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3 2026-02-10T11:40:58,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2 2026-02-10T11:40:58,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2 2026-02-10T11:40:58,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:40:58,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:40:58,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:40:58,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:40:58,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3 2026-02-10T11:40:58,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3 2026-02-10T11:40:58,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS 2026-02-10T11:40:58,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS 2026-02-10T11:40:58,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:40:58,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:40:58,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:40:58,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:40:58,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O 2026-02-10T11:40:58,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O 2026-02-10T11:40:58,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3 2026-02-10T11:40:58,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3 2026-02-10T11:40:58,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3 2026-02-10T11:40:58,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3 2026-02-10T11:40:58,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:40:58,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:40:58,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether 2026-02-10T11:40:58,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether 2026-02-10T11:40:58,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph 2026-02-10T11:40:58,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph 2026-02-10T11:40:58,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S 2026-02-10T11:40:58,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S 2026-02-10T11:40:58,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:40:58,334 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 2026-02-10T11:40:58,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:40:58,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:40:58,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:40:58,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:40:58,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:40:58,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:40:58,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:40:58,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:40:58,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:40:58,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:40:58,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:40:58,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:40:58,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:40:58,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:40:58,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS 2026-02-10T11:40:58,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS 2026-02-10T11:40:58,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether 2026-02-10T11:40:58,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether 2026-02-10T11:40:58,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:40:58,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:40:58,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:40:58,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:40:58,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:40:58,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:40:58,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:40:58,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:40:58,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:40:58,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:40:58,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3 2026-02-10T11:40:58,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3 2026-02-10T11:40:58,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:40:58,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:40:58,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene 2026-02-10T11:40:58,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene 2026-02-10T11:40:58,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:40:58,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:40:58,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene 2026-02-10T11:40:58,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene 2026-02-10T11:40:58,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:40:58,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:40:58,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS 2026-02-10T11:40:58,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS 2026-02-10T11:40:58,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:40:58,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:40:58,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:40:58,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:40:58,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:40:58,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:40:58,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:40:58,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:40:58,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS 2026-02-10T11:40:58,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS 2026-02-10T11:40:58,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b 2026-02-10T11:40:58,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b 2026-02-10T11:40:58,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1 2026-02-10T11:40:58,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1 2026-02-10T11:40:58,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b 2026-02-10T11:40:58,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b 2026-02-10T11:40:58,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a 2026-02-10T11:40:58,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a 2026-02-10T11:40:58,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b 2026-02-10T11:40:58,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b 2026-02-10T11:40:58,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b 2026-02-10T11:40:58,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b 2026-02-10T11:40:58,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4 2026-02-10T11:40:58,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4 2026-02-10T11:40:58,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b 2026-02-10T11:40:58,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b 2026-02-10T11:40:58,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b 2026-02-10T11:40:58,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b 2026-02-10T11:40:58,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12 2026-02-10T11:40:58,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12 2026-02-10T11:40:58,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a 2026-02-10T11:40:58,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a 2026-02-10T11:40:58,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a 2026-02-10T11:40:58,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a 2026-02-10T11:40:58,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a 2026-02-10T11:40:58,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a 2026-02-10T11:40:58,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b 2026-02-10T11:40:58,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b 2026-02-10T11:40:58,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18 2026-02-10T11:40:58,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18 2026-02-10T11:40:58,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13 2026-02-10T11:40:58,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13 2026-02-10T11:40:58,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b 2026-02-10T11:40:58,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b 2026-02-10T11:40:58,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b 2026-02-10T11:40:58,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b 2026-02-10T11:40:58,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a 2026-02-10T11:40:58,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a 2026-02-10T11:40:58,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b 2026-02-10T11:40:58,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b 2026-02-10T11:40:58,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b 2026-02-10T11:40:58,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b 2026-02-10T11:40:58,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20 2026-02-10T11:40:58,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20 2026-02-10T11:40:58,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a 2026-02-10T11:40:58,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a 2026-02-10T11:40:58,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b 2026-02-10T11:40:58,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b 2026-02-10T11:40:58,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a 2026-02-10T11:40:58,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a 2026-02-10T11:40:58,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3 2026-02-10T11:40:58,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3 2026-02-10T11:40:58,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b 2026-02-10T11:40:58,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b 2026-02-10T11:40:58,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a 2026-02-10T11:40:58,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a 2026-02-10T11:40:58,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16 2026-02-10T11:40:58,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16 2026-02-10T11:40:58,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a 2026-02-10T11:40:58,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a 2026-02-10T11:40:58,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b 2026-02-10T11:40:58,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b 2026-02-10T11:40:58,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9 2026-02-10T11:40:58,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9 2026-02-10T11:40:58,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22 2026-02-10T11:40:58,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22 2026-02-10T11:40:58,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7 2026-02-10T11:40:58,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7 2026-02-10T11:40:58,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23 2026-02-10T11:40:58,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23 2026-02-10T11:40:58,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a 2026-02-10T11:40:58,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a 2026-02-10T11:40:58,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b 2026-02-10T11:40:58,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b 2026-02-10T11:40:58,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10 2026-02-10T11:40:58,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10 2026-02-10T11:40:58,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b 2026-02-10T11:40:58,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b 2026-02-10T11:40:58,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a 2026-02-10T11:40:58,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a 2026-02-10T11:40:58,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a 2026-02-10T11:40:58,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a 2026-02-10T11:40:58,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a 2026-02-10T11:40:58,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a 2026-02-10T11:40:58,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a 2026-02-10T11:40:58,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a 2026-02-10T11:40:58,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a 2026-02-10T11:40:58,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a 2026-02-10T11:40:58,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6 2026-02-10T11:40:58,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6 2026-02-10T11:40:58,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b 2026-02-10T11:40:58,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b 2026-02-10T11:40:58,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b 2026-02-10T11:40:58,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b 2026-02-10T11:40:58,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b 2026-02-10T11:40:58,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b 2026-02-10T11:40:58,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a 2026-02-10T11:40:58,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a 2026-02-10T11:40:58,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a 2026-02-10T11:40:58,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a 2026-02-10T11:40:58,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11 2026-02-10T11:40:58,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11 2026-02-10T11:40:58,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5 2026-02-10T11:40:58,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5 2026-02-10T11:40:58,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b 2026-02-10T11:40:58,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b 2026-02-10T11:40:58,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15 2026-02-10T11:40:58,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15 2026-02-10T11:40:58,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a 2026-02-10T11:40:58,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a 2026-02-10T11:40:58,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17 2026-02-10T11:40:58,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17 2026-02-10T11:40:58,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a 2026-02-10T11:40:58,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a 2026-02-10T11:40:58,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21 2026-02-10T11:40:58,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21 2026-02-10T11:40:58,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a 2026-02-10T11:40:58,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a 2026-02-10T11:40:58,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a 2026-02-10T11:40:58,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a 2026-02-10T11:40:58,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b 2026-02-10T11:40:58,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b 2026-02-10T11:40:58,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b 2026-02-10T11:40:58,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b 2026-02-10T11:40:58,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2 2026-02-10T11:40:58,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2 2026-02-10T11:40:58,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14 2026-02-10T11:40:58,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14 2026-02-10T11:40:58,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b 2026-02-10T11:40:58,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b 2026-02-10T11:40:58,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19 2026-02-10T11:40:58,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19 2026-02-10T11:40:58,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a 2026-02-10T11:40:58,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a 2026-02-10T11:40:58,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a 2026-02-10T11:40:58,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a 2026-02-10T11:40:58,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8 2026-02-10T11:40:58,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8 2026-02-10T11:40:58,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic 2026-02-10T11:40:58,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic 2026-02-10T11:40:58,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of 2026-02-10T11:40:58,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of 2026-02-10T11:40:58,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo 2026-02-10T11:40:58,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo 2026-02-10T11:40:58,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4 2026-02-10T11:40:58,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4 2026-02-10T11:40:58,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh 2026-02-10T11:40:58,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh 2026-02-10T11:40:58,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc 2026-02-10T11:40:58,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc 2026-02-10T11:40:58,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh 2026-02-10T11:40:58,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh 2026-02-10T11:40:58,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic 2026-02-10T11:40:58,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic 2026-02-10T11:40:58,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal 2026-02-10T11:40:58,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal 2026-02-10T11:40:58,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof 2026-02-10T11:40:58,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof 2026-02-10T11:40:58,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono 2026-02-10T11:40:58,675 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 2026-02-10T11:40:58,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene 2026-02-10T11:40:58,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene 2026-02-10T11:40:58,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:40:58,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:40:58,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:40:58,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:40:58,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2 2026-02-10T11:40:58,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2 2026-02-10T11:40:58,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh 2026-02-10T11:40:58,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh 2026-02-10T11:40:58,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf 2026-02-10T11:40:58,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf 2026-02-10T11:40:58,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2 2026-02-10T11:40:58,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2 2026-02-10T11:40:58,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2 2026-02-10T11:40:58,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2 2026-02-10T11:40:58,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof 2026-02-10T11:40:58,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof 2026-02-10T11:40:58,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf 2026-02-10T11:40:58,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf 2026-02-10T11:40:58,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s 2026-02-10T11:40:58,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s 2026-02-10T11:40:58,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf 2026-02-10T11:40:58,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf 2026-02-10T11:40:58,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co 2026-02-10T11:40:58,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co 2026-02-10T11:40:58,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3 2026-02-10T11:40:58,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3 2026-02-10T11:40:58,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3 2026-02-10T11:40:58,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3 2026-02-10T11:40:58,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn 2026-02-10T11:40:58,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn 2026-02-10T11:40:58,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol 2026-02-10T11:40:58,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol 2026-02-10T11:40:58,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh 2026-02-10T11:40:58,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh 2026-02-10T11:40:58,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2 2026-02-10T11:40:58,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2 2026-02-10T11:40:58,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol 2026-02-10T11:40:58,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol 2026-02-10T11:40:58,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2 2026-02-10T11:40:58,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2 2026-02-10T11:40:58,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f 2026-02-10T11:40:58,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f 2026-02-10T11:40:58,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6 2026-02-10T11:40:58,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6 2026-02-10T11:40:58,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4 2026-02-10T11:40:58,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4 2026-02-10T11:40:58,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs 2026-02-10T11:40:58,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs 2026-02-10T11:40:58,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn 2026-02-10T11:40:58,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn 2026-02-10T11:40:58,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3 2026-02-10T11:40:58,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3 2026-02-10T11:40:58,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b 2026-02-10T11:40:58,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b 2026-02-10T11:40:58,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2 2026-02-10T11:40:58,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2 2026-02-10T11:40:58,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2 2026-02-10T11:40:58,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2 2026-02-10T11:40:58,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl 2026-02-10T11:40:58,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl 2026-02-10T11:40:58,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh 2026-02-10T11:40:58,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh 2026-02-10T11:40:58,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:40:58,793 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 2026-02-10T11:40:58,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o 2026-02-10T11:40:58,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o 2026-02-10T11:40:58,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4 2026-02-10T11:40:58,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4 2026-02-10T11:40:58,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:40:58,803 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 2026-02-10T11:40:58,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6 2026-02-10T11:40:58,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6 2026-02-10T11:40:58,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno 2026-02-10T11:40:58,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno 2026-02-10T11:40:58,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2 2026-02-10T11:40:58,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2 2026-02-10T11:40:58,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo 2026-02-10T11:40:58,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo 2026-02-10T11:40:58,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn 2026-02-10T11:40:58,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn 2026-02-10T11:40:58,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne 2026-02-10T11:40:58,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne 2026-02-10T11:40:58,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2 2026-02-10T11:40:58,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2 2026-02-10T11:40:58,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o 2026-02-10T11:40:58,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o 2026-02-10T11:40:58,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:40:58,838 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 2026-02-10T11:40:58,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf 2026-02-10T11:40:58,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf 2026-02-10T11:40:58,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4 2026-02-10T11:40:58,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4 2026-02-10T11:40:58,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be 2026-02-10T11:40:58,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be 2026-02-10T11:40:58,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf 2026-02-10T11:40:58,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf 2026-02-10T11:40:58,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o 2026-02-10T11:40:58,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o 2026-02-10T11:40:58,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4 2026-02-10T11:40:58,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4 2026-02-10T11:40:58,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf 2026-02-10T11:40:58,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf 2026-02-10T11:40:58,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3 2026-02-10T11:40:58,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3 2026-02-10T11:40:58,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h 2026-02-10T11:40:58,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h 2026-02-10T11:40:58,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo 2026-02-10T11:40:58,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo 2026-02-10T11:40:58,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl 2026-02-10T11:40:58,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl 2026-02-10T11:40:58,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6 2026-02-10T11:40:58,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6 2026-02-10T11:40:58,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2 2026-02-10T11:40:58,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2 2026-02-10T11:40:58,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo 2026-02-10T11:40:58,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo 2026-02-10T11:40:58,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane 2026-02-10T11:40:58,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane 2026-02-10T11:40:58,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco 2026-02-10T11:40:58,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco 2026-02-10T11:40:58,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si 2026-02-10T11:40:58,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si 2026-02-10T11:40:58,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n 2026-02-10T11:40:58,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n 2026-02-10T11:40:58,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h 2026-02-10T11:40:58,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h 2026-02-10T11:40:58,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane 2026-02-10T11:40:58,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane 2026-02-10T11:40:58,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2 2026-02-10T11:40:58,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2 2026-02-10T11:40:58,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene 2026-02-10T11:40:58,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene 2026-02-10T11:40:58,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl 2026-02-10T11:40:58,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl 2026-02-10T11:40:58,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2 2026-02-10T11:40:58,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2 2026-02-10T11:40:58,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f 2026-02-10T11:40:58,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f 2026-02-10T11:40:58,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3 2026-02-10T11:40:58,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3 2026-02-10T11:40:58,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2 2026-02-10T11:40:58,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2 2026-02-10T11:40:58,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o 2026-02-10T11:40:58,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o 2026-02-10T11:40:58,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3 2026-02-10T11:40:58,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3 2026-02-10T11:40:58,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s 2026-02-10T11:40:58,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s 2026-02-10T11:40:58,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o 2026-02-10T11:40:58,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o 2026-02-10T11:40:58,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3 2026-02-10T11:40:58,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3 2026-02-10T11:40:58,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4 2026-02-10T11:40:58,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4 2026-02-10T11:40:58,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3 2026-02-10T11:40:58,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3 2026-02-10T11:40:58,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih 2026-02-10T11:40:58,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih 2026-02-10T11:40:58,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof 2026-02-10T11:40:58,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof 2026-02-10T11:40:58,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f 2026-02-10T11:40:58,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f 2026-02-10T11:40:58,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno 2026-02-10T11:40:58,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno 2026-02-10T11:40:58,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no 2026-02-10T11:40:58,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no 2026-02-10T11:40:58,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c 2026-02-10T11:40:58,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c 2026-02-10T11:40:58,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh 2026-02-10T11:40:58,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh 2026-02-10T11:40:58,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co 2026-02-10T11:40:58,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co 2026-02-10T11:40:58,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene 2026-02-10T11:40:58,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene 2026-02-10T11:40:58,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn 2026-02-10T11:40:58,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn 2026-02-10T11:40:58,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs 2026-02-10T11:40:58,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs 2026-02-10T11:40:58,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p 2026-02-10T11:40:58,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p 2026-02-10T11:40:58,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:40:58,997 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 2026-02-10T11:40:59,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch 2026-02-10T11:40:59,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch 2026-02-10T11:40:59,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3 2026-02-10T11:40:59,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3 2026-02-10T11:40:59,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh 2026-02-10T11:40:59,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh 2026-02-10T11:40:59,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2 2026-02-10T11:40:59,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2 2026-02-10T11:40:59,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2 2026-02-10T11:40:59,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2 2026-02-10T11:40:59,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f 2026-02-10T11:40:59,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f 2026-02-10T11:40:59,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2 2026-02-10T11:40:59,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2 2026-02-10T11:40:59,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs 2026-02-10T11:40:59,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs 2026-02-10T11:40:59,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi 2026-02-10T11:40:59,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi 2026-02-10T11:40:59,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl 2026-02-10T11:40:59,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl 2026-02-10T11:40:59,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2 2026-02-10T11:40:59,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2 2026-02-10T11:40:59,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene 2026-02-10T11:40:59,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene 2026-02-10T11:40:59,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo 2026-02-10T11:40:59,048 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 2026-02-10T11:40:59,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2 2026-02-10T11:40:59,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2 2026-02-10T11:40:59,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf 2026-02-10T11:40:59,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf 2026-02-10T11:40:59,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so 2026-02-10T11:40:59,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so 2026-02-10T11:40:59,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch 2026-02-10T11:40:59,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch 2026-02-10T11:40:59,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2 2026-02-10T11:40:59,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2 2026-02-10T11:40:59,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane 2026-02-10T11:40:59,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane 2026-02-10T11:40:59,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o 2026-02-10T11:40:59,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o 2026-02-10T11:40:59,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc 2026-02-10T11:40:59,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc 2026-02-10T11:40:59,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:40:59,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:40:59,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3 2026-02-10T11:40:59,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3 2026-02-10T11:40:59,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c 2026-02-10T11:40:59,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c 2026-02-10T11:40:59,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2 2026-02-10T11:40:59,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2 2026-02-10T11:40:59,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco 2026-02-10T11:40:59,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco 2026-02-10T11:40:59,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2 2026-02-10T11:40:59,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2 2026-02-10T11:40:59,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn 2026-02-10T11:40:59,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn 2026-02-10T11:40:59,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:40:59,144 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 2026-02-10T11:40:59,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f 2026-02-10T11:40:59,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f 2026-02-10T11:40:59,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn 2026-02-10T11:40:59,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn 2026-02-10T11:40:59,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co 2026-02-10T11:40:59,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co 2026-02-10T11:40:59,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:40:59,171 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 2026-02-10T11:40:59,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif 2026-02-10T11:40:59,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif 2026-02-10T11:40:59,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4 2026-02-10T11:40:59,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4 2026-02-10T11:40:59,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3 2026-02-10T11:40:59,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3 2026-02-10T11:40:59,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2 2026-02-10T11:40:59,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2 2026-02-10T11:40:59,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al 2026-02-10T11:40:59,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al 2026-02-10T11:40:59,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh 2026-02-10T11:40:59,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh 2026-02-10T11:40:59,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono 2026-02-10T11:40:59,214 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 2026-02-10T11:40:59,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn 2026-02-10T11:40:59,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn 2026-02-10T11:40:59,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo 2026-02-10T11:40:59,225 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 2026-02-10T11:40:59,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio 2026-02-10T11:40:59,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio 2026-02-10T11:40:59,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh 2026-02-10T11:40:59,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh 2026-02-10T11:40:59,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:40:59,238 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 2026-02-10T11:40:59,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch 2026-02-10T11:40:59,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch 2026-02-10T11:40:59,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl 2026-02-10T11:40:59,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl 2026-02-10T11:40:59,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn 2026-02-10T11:40:59,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn 2026-02-10T11:40:59,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2 2026-02-10T11:40:59,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2 2026-02-10T11:40:59,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07 2026-02-10T11:40:59,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07 2026-02-10T11:40:59,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36 2026-02-10T11:40:59,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36 2026-02-10T11:40:59,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02 2026-02-10T11:40:59,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02 2026-02-10T11:40:59,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12 2026-02-10T11:40:59,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12 2026-02-10T11:40:59,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27 2026-02-10T11:40:59,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27 2026-02-10T11:40:59,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18 2026-02-10T11:40:59,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18 2026-02-10T11:40:59,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34 2026-02-10T11:40:59,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34 2026-02-10T11:40:59,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13 2026-02-10T11:40:59,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13 2026-02-10T11:40:59,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38 2026-02-10T11:40:59,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38 2026-02-10T11:40:59,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2 2026-02-10T11:40:59,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2 2026-02-10T11:40:59,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH 2026-02-10T11:40:59,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH 2026-02-10T11:40:59,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2 2026-02-10T11:40:59,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2 2026-02-10T11:40:59,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05 2026-02-10T11:40:59,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05 2026-02-10T11:40:59,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20 2026-02-10T11:40:59,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20 2026-02-10T11:40:59,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01 2026-02-10T11:40:59,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01 2026-02-10T11:40:59,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08 2026-02-10T11:40:59,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08 2026-02-10T11:40:59,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41 2026-02-10T11:40:59,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41 2026-02-10T11:40:59,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4 2026-02-10T11:40:59,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4 2026-02-10T11:40:59,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2 2026-02-10T11:40:59,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2 2026-02-10T11:40:59,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04 2026-02-10T11:40:59,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04 2026-02-10T11:40:59,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16 2026-02-10T11:40:59,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16 2026-02-10T11:40:59,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4 2026-02-10T11:40:59,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4 2026-02-10T11:40:59,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2 2026-02-10T11:40:59,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2 2026-02-10T11:40:59,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25 2026-02-10T11:40:59,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25 2026-02-10T11:40:59,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30 2026-02-10T11:40:59,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30 2026-02-10T11:40:59,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH 2026-02-10T11:40:59,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH 2026-02-10T11:40:59,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43 2026-02-10T11:40:59,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43 2026-02-10T11:40:59,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2 2026-02-10T11:40:59,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2 2026-02-10T11:40:59,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09 2026-02-10T11:40:59,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09 2026-02-10T11:40:59,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37 2026-02-10T11:40:59,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37 2026-02-10T11:40:59,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3 2026-02-10T11:40:59,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3 2026-02-10T11:40:59,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22 2026-02-10T11:40:59,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22 2026-02-10T11:40:59,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23 2026-02-10T11:40:59,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23 2026-02-10T11:40:59,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2 2026-02-10T11:40:59,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2 2026-02-10T11:40:59,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10 2026-02-10T11:40:59,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10 2026-02-10T11:40:59,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06 2026-02-10T11:40:59,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06 2026-02-10T11:40:59,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2 2026-02-10T11:40:59,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2 2026-02-10T11:40:59,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28 2026-02-10T11:40:59,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28 2026-02-10T11:40:59,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26 2026-02-10T11:40:59,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26 2026-02-10T11:40:59,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40 2026-02-10T11:40:59,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40 2026-02-10T11:40:59,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11 2026-02-10T11:40:59,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11 2026-02-10T11:40:59,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32 2026-02-10T11:40:59,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32 2026-02-10T11:40:59,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2 2026-02-10T11:40:59,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2 2026-02-10T11:40:59,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24 2026-02-10T11:40:59,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24 2026-02-10T11:40:59,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15 2026-02-10T11:40:59,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15 2026-02-10T11:40:59,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03 2026-02-10T11:40:59,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03 2026-02-10T11:40:59,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17 2026-02-10T11:40:59,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17 2026-02-10T11:40:59,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21 2026-02-10T11:40:59,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21 2026-02-10T11:40:59,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3 2026-02-10T11:40:59,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3 2026-02-10T11:40:59,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42 2026-02-10T11:40:59,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42 2026-02-10T11:40:59,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39 2026-02-10T11:40:59,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39 2026-02-10T11:40:59,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35 2026-02-10T11:40:59,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35 2026-02-10T11:40:59,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14 2026-02-10T11:40:59,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14 2026-02-10T11:40:59,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19 2026-02-10T11:40:59,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19 2026-02-10T11:40:59,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33 2026-02-10T11:40:59,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33 2026-02-10T11:40:59,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2 2026-02-10T11:40:59,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2 2026-02-10T11:40:59,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29 2026-02-10T11:40:59,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29 2026-02-10T11:40:59,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31 2026-02-10T11:40:59,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31 2026-02-10T11:40:59,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z 2026-02-10T11:40:59,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z 2026-02-10T11:40:59,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b 2026-02-10T11:40:59,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b 2026-02-10T11:40:59,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e 2026-02-10T11:40:59,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e 2026-02-10T11:40:59,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d 2026-02-10T11:40:59,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d 2026-02-10T11:40:59,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m 2026-02-10T11:40:59,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m 2026-02-10T11:40:59,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b 2026-02-10T11:40:59,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b 2026-02-10T11:40:59,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f 2026-02-10T11:40:59,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f 2026-02-10T11:40:59,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a 2026-02-10T11:40:59,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a 2026-02-10T11:40:59,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b 2026-02-10T11:40:59,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b 2026-02-10T11:40:59,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b 2026-02-10T11:40:59,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b 2026-02-10T11:40:59,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h 2026-02-10T11:40:59,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h 2026-02-10T11:40:59,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g 2026-02-10T11:40:59,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g 2026-02-10T11:40:59,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p 2026-02-10T11:40:59,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p 2026-02-10T11:40:59,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p 2026-02-10T11:40:59,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p 2026-02-10T11:40:59,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a 2026-02-10T11:40:59,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a 2026-02-10T11:40:59,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p 2026-02-10T11:40:59,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p 2026-02-10T11:40:59,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d 2026-02-10T11:40:59,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d 2026-02-10T11:40:59,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a 2026-02-10T11:40:59,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a 2026-02-10T11:40:59,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a 2026-02-10T11:40:59,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a 2026-02-10T11:40:59,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c 2026-02-10T11:40:59,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c 2026-02-10T11:40:59,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p 2026-02-10T11:40:59,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p 2026-02-10T11:40:59,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa 2026-02-10T11:40:59,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa 2026-02-10T11:40:59,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a 2026-02-10T11:40:59,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a 2026-02-10T11:40:59,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a 2026-02-10T11:40:59,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a 2026-02-10T11:40:59,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:40:59,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:40:59,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:40:59,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:40:59,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:40:59,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:40:59,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:40:59,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:40:59,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:40:59,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:40:59,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:40:59,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:40:59,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:40:59,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:40:59,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:40:59,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:40:59,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:40:59,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:40:59,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:40:59,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:40:59,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:40:59,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:40:59,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2 2026-02-10T11:40:59,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2 2026-02-10T11:40:59,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:40:59,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:40:59,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:40:59,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:40:59,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:40:59,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:40:59,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:40:59,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:40:59,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:40:59,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:40:59,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:40:59,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:40:59,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:40:59,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:40:59,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:40:59,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:40:59,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:40:59,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:40:59,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:40:59,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:40:59,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:40:59,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:40:59,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:40:59,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:40:59,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2 2026-02-10T11:40:59,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2 2026-02-10T11:40:59,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:40:59,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:40:59,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:40:59,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:40:59,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:40:59,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:40:59,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:40:59,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:40:59,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:40:59,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:40:59,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:40:59,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:40:59,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:40:59,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:40:59,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:40:59,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:40:59,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:40:59,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:40:59,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:40:59,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:40:59,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:40:59,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:40:59,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:40:59,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:40:59,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:40:59,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:40:59,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:40:59,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:40:59,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:40:59,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:40:59,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b 2026-02-10T11:40:59,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b 2026-02-10T11:40:59,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b 2026-02-10T11:40:59,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b 2026-02-10T11:40:59,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c 2026-02-10T11:40:59,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c 2026-02-10T11:40:59,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a 2026-02-10T11:40:59,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a 2026-02-10T11:40:59,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b 2026-02-10T11:40:59,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b 2026-02-10T11:40:59,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c 2026-02-10T11:40:59,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c 2026-02-10T11:40:59,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b 2026-02-10T11:40:59,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b 2026-02-10T11:40:59,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c 2026-02-10T11:40:59,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c 2026-02-10T11:40:59,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a 2026-02-10T11:40:59,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a 2026-02-10T11:40:59,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d 2026-02-10T11:40:59,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d 2026-02-10T11:40:59,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a 2026-02-10T11:40:59,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a 2026-02-10T11:40:59,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b 2026-02-10T11:40:59,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b 2026-02-10T11:40:59,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b 2026-02-10T11:40:59,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b 2026-02-10T11:40:59,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d 2026-02-10T11:40:59,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d 2026-02-10T11:40:59,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a 2026-02-10T11:40:59,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a 2026-02-10T11:40:59,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a 2026-02-10T11:40:59,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a 2026-02-10T11:40:59,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b 2026-02-10T11:40:59,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b 2026-02-10T11:40:59,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a 2026-02-10T11:40:59,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a 2026-02-10T11:40:59,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b 2026-02-10T11:40:59,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b 2026-02-10T11:40:59,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a 2026-02-10T11:40:59,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a 2026-02-10T11:40:59,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a 2026-02-10T11:40:59,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a 2026-02-10T11:40:59,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b 2026-02-10T11:40:59,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b 2026-02-10T11:40:59,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b 2026-02-10T11:40:59,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b 2026-02-10T11:40:59,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a 2026-02-10T11:41:00,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a 2026-02-10T11:41:00,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a 2026-02-10T11:41:00,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a 2026-02-10T11:41:00,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:41:00,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:41:00,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:41:00,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:41:00,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:41:00,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:41:00,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:41:00,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:41:00,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:41:00,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:41:00,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:41:00,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:41:00,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:41:00,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:41:00,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:41:00,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:41:00,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:41:00,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:41:00,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:41:00,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:41:00,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:41:00,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:41:00,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:41:00,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:41:00,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:41:00,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:41:00,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:41:00,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:41:00,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:41:00,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:41:00,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:41:00,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:41:00,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:41:00,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:41:00,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:41:00,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:41:00,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:41:00,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:41:00,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:41:00,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:41:00,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:41:00,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:41:00,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:41:00,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:41:00,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:41:00,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:41:00,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:41:00,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:41:00,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:41:00,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:41:00,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:41:00,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:41:00,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:41:00,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:41:00,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:41:00,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:41:00,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:41:00,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:41:00,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:41:00,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:41:00,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:41:00,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:41:00,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:41:00,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:41:00,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:41:00,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:41:00,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:41:00,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:41:00,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:41:00,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:41:00,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:41:00,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:41:00,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:41:00,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:41:00,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:41:00,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:41:00,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:41:00,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:41:00,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:41:00,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:41:00,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:41:00,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:41:00,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:41:00,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:41:00,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:41:00,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:41:00,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:41:00,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:41:00,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:41:00,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:41:00,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:41:00,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:41:00,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:41:00,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:41:00,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:41:00,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:41:00,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:41:00,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:41:00,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:41:00,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:41:00,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:41:00,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:41:00,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:41:00,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:41:00,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:41:00,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:41:00,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:41:00,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:41:00,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:41:00,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:41:00,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:41:00,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:41:00,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:41:00,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:41:00,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:41:00,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:41:00,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:41:00,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:41:00,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:41:00,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:41:00,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:41:00,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:41:00,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:41:00,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:41:00,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:41:00,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:41:00,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:41:00,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:41:00,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:41:00,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:41:00,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:41:00,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:41:00,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3 2026-02-10T11:41:00,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3 2026-02-10T11:41:00,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3 2026-02-10T11:41:00,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3 2026-02-10T11:41:00,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:41:00,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:41:00,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:41:00,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:41:00,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3 2026-02-10T11:41:00,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3 2026-02-10T11:41:00,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:41:00,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:41:00,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3 2026-02-10T11:41:00,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3 2026-02-10T11:41:00,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:41:00,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:41:00,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:41:00,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:41:00,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut 2026-02-10T11:41:00,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut 2026-02-10T11:41:00,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F 2026-02-10T11:41:00,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F 2026-02-10T11:41:00,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H 2026-02-10T11:41:00,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H 2026-02-10T11:41:00,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2 2026-02-10T11:41:00,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2 2026-02-10T11:41:00,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3 2026-02-10T11:41:00,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3 2026-02-10T11:41:00,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3 2026-02-10T11:41:00,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3 2026-02-10T11:41:00,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3 2026-02-10T11:41:00,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3 2026-02-10T11:41:00,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz 2026-02-10T11:41:00,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz 2026-02-10T11:41:00,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:41:00,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:41:00,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch 2026-02-10T11:41:00,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch 2026-02-10T11:41:00,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2 2026-02-10T11:41:00,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2 2026-02-10T11:41:00,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1 2026-02-10T11:41:00,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1 2026-02-10T11:41:00,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3 2026-02-10T11:41:00,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3 2026-02-10T11:41:00,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2 2026-02-10T11:41:00,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2 2026-02-10T11:41:00,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2 2026-02-10T11:41:00,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2 2026-02-10T11:41:00,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e 2026-02-10T11:41:00,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e 2026-02-10T11:41:00,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e 2026-02-10T11:41:00,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e 2026-02-10T11:41:00,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3 2026-02-10T11:41:00,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3 2026-02-10T11:41:00,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3 2026-02-10T11:41:00,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3 2026-02-10T11:41:00,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e 2026-02-10T11:41:00,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e 2026-02-10T11:41:00,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1 2026-02-10T11:41:00,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1 2026-02-10T11:41:00,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1 2026-02-10T11:41:00,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1 2026-02-10T11:41:00,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2 2026-02-10T11:41:00,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2 2026-02-10T11:41:00,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3 2026-02-10T11:41:00,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3 2026-02-10T11:41:00,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e 2026-02-10T11:41:00,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e 2026-02-10T11:41:00,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5 2026-02-10T11:41:00,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5 2026-02-10T11:41:00,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int 2026-02-10T11:41:00,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int 2026-02-10T11:41:00,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1 2026-02-10T11:41:00,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1 2026-02-10T11:41:00,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p 2026-02-10T11:41:00,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p 2026-02-10T11:41:00,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr 2026-02-10T11:41:00,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr 2026-02-10T11:41:00,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1 2026-02-10T11:41:00,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1 2026-02-10T11:41:00,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2 2026-02-10T11:41:00,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2 2026-02-10T11:41:00,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p 2026-02-10T11:41:00,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p 2026-02-10T11:41:00,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me 2026-02-10T11:41:00,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me 2026-02-10T11:41:00,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene 2026-02-10T11:41:00,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene 2026-02-10T11:41:00,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2 2026-02-10T11:41:00,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2 2026-02-10T11:41:00,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6 2026-02-10T11:41:00,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6 2026-02-10T11:41:00,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e 2026-02-10T11:41:00,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e 2026-02-10T11:41:00,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e 2026-02-10T11:41:00,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e 2026-02-10T11:41:00,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4 2026-02-10T11:41:00,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4 2026-02-10T11:41:00,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3 2026-02-10T11:41:00,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3 2026-02-10T11:41:00,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1 2026-02-10T11:41:00,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1 2026-02-10T11:41:00,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1 2026-02-10T11:41:00,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1 2026-02-10T11:41:00,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3 2026-02-10T11:41:00,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3 2026-02-10T11:41:00,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e 2026-02-10T11:41:00,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e 2026-02-10T11:41:00,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2 2026-02-10T11:41:00,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2 2026-02-10T11:41:00,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1 2026-02-10T11:41:00,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1 2026-02-10T11:41:00,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e 2026-02-10T11:41:00,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e 2026-02-10T11:41:00,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2 2026-02-10T11:41:00,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2 2026-02-10T11:41:00,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1 2026-02-10T11:41:00,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1 2026-02-10T11:41:00,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e 2026-02-10T11:41:00,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e 2026-02-10T11:41:00,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e 2026-02-10T11:41:00,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e 2026-02-10T11:41:00,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25 2026-02-10T11:41:00,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25 2026-02-10T11:41:00,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52 2026-02-10T11:41:00,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52 2026-02-10T11:41:00,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45 2026-02-10T11:41:00,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45 2026-02-10T11:41:00,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45 2026-02-10T11:41:00,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45 2026-02-10T11:41:00,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51 2026-02-10T11:41:00,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51 2026-02-10T11:41:00,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40 2026-02-10T11:41:00,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40 2026-02-10T11:41:00,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44 2026-02-10T11:41:00,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44 2026-02-10T11:41:00,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60 2026-02-10T11:41:00,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60 2026-02-10T11:41:00,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60 2026-02-10T11:41:00,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60 2026-02-10T11:41:00,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56 2026-02-10T11:41:00,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56 2026-02-10T11:41:00,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43 2026-02-10T11:41:00,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43 2026-02-10T11:41:00,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21 2026-02-10T11:41:00,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21 2026-02-10T11:41:00,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44 2026-02-10T11:41:00,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44 2026-02-10T11:41:00,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29 2026-02-10T11:41:00,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29 2026-02-10T11:41:00,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26 2026-02-10T11:41:00,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26 2026-02-10T11:41:00,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22 2026-02-10T11:41:00,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22 2026-02-10T11:41:00,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57 2026-02-10T11:41:00,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57 2026-02-10T11:41:00,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26 2026-02-10T11:41:00,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26 2026-02-10T11:41:00,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20 2026-02-10T11:41:00,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20 2026-02-10T11:41:00,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22 2026-02-10T11:41:00,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22 2026-02-10T11:41:00,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43 2026-02-10T11:41:00,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43 2026-02-10T11:41:00,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52 2026-02-10T11:41:00,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52 2026-02-10T11:41:00,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47 2026-02-10T11:41:00,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47 2026-02-10T11:41:00,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47 2026-02-10T11:41:00,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47 2026-02-10T11:41:00,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28 2026-02-10T11:41:00,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28 2026-02-10T11:41:00,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49 2026-02-10T11:41:00,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49 2026-02-10T11:41:00,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48 2026-02-10T11:41:00,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48 2026-02-10T11:41:00,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49 2026-02-10T11:41:00,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49 2026-02-10T11:41:00,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48 2026-02-10T11:41:00,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48 2026-02-10T11:41:00,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20 2026-02-10T11:41:00,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20 2026-02-10T11:41:00,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46 2026-02-10T11:41:00,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46 2026-02-10T11:41:00,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51 2026-02-10T11:41:00,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51 2026-02-10T11:41:00,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40 2026-02-10T11:41:00,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40 2026-02-10T11:41:00,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46 2026-02-10T11:41:00,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46 2026-02-10T11:41:00,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25 2026-02-10T11:41:00,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25 2026-02-10T11:41:00,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56 2026-02-10T11:41:00,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56 2026-02-10T11:41:00,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:41:00,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:41:00,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1 2026-02-10T11:41:00,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1 2026-02-10T11:41:00,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2 2026-02-10T11:41:00,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2 2026-02-10T11:41:00,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1 2026-02-10T11:41:00,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1 2026-02-10T11:41:00,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic 2026-02-10T11:41:00,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic 2026-02-10T11:41:00,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64 2026-02-10T11:41:00,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64 2026-02-10T11:41:00,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr 2026-02-10T11:41:00,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr 2026-02-10T11:41:00,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr 2026-02-10T11:41:00,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr 2026-02-10T11:41:00,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A 2026-02-10T11:41:00,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A 2026-02-10T11:41:00,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo 2026-02-10T11:41:00,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo 2026-02-10T11:41:00,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A 2026-02-10T11:41:00,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A 2026-02-10T11:41:00,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh 2026-02-10T11:41:00,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh 2026-02-10T11:41:00,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2 2026-02-10T11:41:00,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2 2026-02-10T11:41:00,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc 2026-02-10T11:41:00,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc 2026-02-10T11:41:00,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe 2026-02-10T11:41:00,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe 2026-02-10T11:41:00,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4 2026-02-10T11:41:00,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4 2026-02-10T11:41:00,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74 2026-02-10T11:41:00,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74 2026-02-10T11:41:00,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:41:00,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:41:00,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:41:00,589 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 2026-02-10T11:41:00,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:41:00,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:41:00,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2 2026-02-10T11:41:00,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2 2026-02-10T11:41:00,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he 2026-02-10T11:41:00,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he 2026-02-10T11:41:00,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm 2026-02-10T11:41:00,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm 2026-02-10T11:41:00,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s 2026-02-10T11:41:00,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s 2026-02-10T11:41:00,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf 2026-02-10T11:41:00,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf 2026-02-10T11:41:00,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3 2026-02-10T11:41:00,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3 2026-02-10T11:41:00,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots 2026-02-10T11:41:00,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots 2026-02-10T11:41:00,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+ 2026-02-10T11:41:00,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+ 2026-02-10T11:41:00,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21 2026-02-10T11:41:00,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21 2026-02-10T11:41:00,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3 2026-02-10T11:41:00,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3 2026-02-10T11:41:00,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:41:00,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:41:00,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18 2026-02-10T11:41:00,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18 2026-02-10T11:41:00,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20 2026-02-10T11:41:00,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20 2026-02-10T11:41:00,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34 2026-02-10T11:41:00,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34 2026-02-10T11:41:00,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13 2026-02-10T11:41:00,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13 2026-02-10T11:41:00,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:41:00,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:41:00,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:41:00,645 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 2026-02-10T11:41:00,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:41:00,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:41:00,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b 2026-02-10T11:41:00,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b 2026-02-10T11:41:00,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O 2026-02-10T11:41:00,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O 2026-02-10T11:41:00,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2 2026-02-10T11:41:00,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2 2026-02-10T11:41:00,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76 2026-02-10T11:41:00,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76 2026-02-10T11:41:00,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A 2026-02-10T11:41:00,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A 2026-02-10T11:41:00,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2 2026-02-10T11:41:00,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2 2026-02-10T11:41:00,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+ 2026-02-10T11:41:00,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+ 2026-02-10T11:41:00,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:41:00,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:41:00,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs 2026-02-10T11:41:00,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs 2026-02-10T11:41:00,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B 2026-02-10T11:41:00,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B 2026-02-10T11:41:00,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17 2026-02-10T11:41:00,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17 2026-02-10T11:41:00,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48 2026-02-10T11:41:00,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48 2026-02-10T11:41:00,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1 2026-02-10T11:41:00,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1 2026-02-10T11:41:00,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p 2026-02-10T11:41:00,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p 2026-02-10T11:41:00,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45 2026-02-10T11:41:00,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45 2026-02-10T11:41:00,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH 2026-02-10T11:41:00,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH 2026-02-10T11:41:00,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20 2026-02-10T11:41:00,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20 2026-02-10T11:41:00,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o 2026-02-10T11:41:00,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o 2026-02-10T11:41:00,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh 2026-02-10T11:41:00,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh 2026-02-10T11:41:00,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be 2026-02-10T11:41:00,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be 2026-02-10T11:41:00,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20 2026-02-10T11:41:00,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20 2026-02-10T11:41:00,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3 2026-02-10T11:41:00,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3 2026-02-10T11:41:00,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1 2026-02-10T11:41:00,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1 2026-02-10T11:41:00,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S 2026-02-10T11:41:00,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S 2026-02-10T11:41:00,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80 2026-02-10T11:41:00,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80 2026-02-10T11:41:00,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf 2026-02-10T11:41:00,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf 2026-02-10T11:41:00,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14 2026-02-10T11:41:00,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14 2026-02-10T11:41:00,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59 2026-02-10T11:41:00,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59 2026-02-10T11:41:00,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3 2026-02-10T11:41:00,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3 2026-02-10T11:41:00,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02 2026-02-10T11:41:00,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02 2026-02-10T11:41:00,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:41:00,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:41:00,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A 2026-02-10T11:41:00,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A 2026-02-10T11:41:00,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl 2026-02-10T11:41:00,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl 2026-02-10T11:41:00,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73 2026-02-10T11:41:00,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73 2026-02-10T11:41:00,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo 2026-02-10T11:41:00,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo 2026-02-10T11:41:00,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco 2026-02-10T11:41:00,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco 2026-02-10T11:41:00,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao 2026-02-10T11:41:00,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao 2026-02-10T11:41:00,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B 2026-02-10T11:41:00,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B 2026-02-10T11:41:00,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si 2026-02-10T11:41:00,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si 2026-02-10T11:41:00,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A 2026-02-10T11:41:00,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A 2026-02-10T11:41:00,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p 2026-02-10T11:41:00,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p 2026-02-10T11:41:00,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:41:00,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:41:00,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:41:00,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:41:00,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h 2026-02-10T11:41:00,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h 2026-02-10T11:41:00,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:41:00,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:41:00,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca 2026-02-10T11:41:00,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca 2026-02-10T11:41:00,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2 2026-02-10T11:41:00,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2 2026-02-10T11:41:00,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4 2026-02-10T11:41:00,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4 2026-02-10T11:41:00,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:41:00,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:41:00,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2 2026-02-10T11:41:00,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2 2026-02-10T11:41:00,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne 2026-02-10T11:41:00,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne 2026-02-10T11:41:00,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A 2026-02-10T11:41:00,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A 2026-02-10T11:41:00,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B 2026-02-10T11:41:00,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B 2026-02-10T11:41:00,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25 2026-02-10T11:41:00,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25 2026-02-10T11:41:00,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20 2026-02-10T11:41:00,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20 2026-02-10T11:41:00,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s 2026-02-10T11:41:00,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s 2026-02-10T11:41:00,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B 2026-02-10T11:41:00,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B 2026-02-10T11:41:00,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4 2026-02-10T11:41:00,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4 2026-02-10T11:41:00,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10 2026-02-10T11:41:00,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10 2026-02-10T11:41:00,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:41:00,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:41:00,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k 2026-02-10T11:41:00,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k 2026-02-10T11:41:00,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg 2026-02-10T11:41:00,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg 2026-02-10T11:41:00,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67 2026-02-10T11:41:00,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67 2026-02-10T11:41:00,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:41:00,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:41:00,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78 2026-02-10T11:41:00,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78 2026-02-10T11:41:00,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43 2026-02-10T11:41:00,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43 2026-02-10T11:41:00,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts 2026-02-10T11:41:00,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts 2026-02-10T11:41:00,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A 2026-02-10T11:41:00,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A 2026-02-10T11:41:00,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3 2026-02-10T11:41:00,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3 2026-02-10T11:41:00,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25 2026-02-10T11:41:00,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25 2026-02-10T11:41:00,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:41:00,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:41:00,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf 2026-02-10T11:41:00,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf 2026-02-10T11:41:00,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2 2026-02-10T11:41:00,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2 2026-02-10T11:41:00,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH 2026-02-10T11:41:00,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH 2026-02-10T11:41:00,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a 2026-02-10T11:41:00,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a 2026-02-10T11:41:00,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:41:00,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:41:00,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B 2026-02-10T11:41:00,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B 2026-02-10T11:41:00,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47 2026-02-10T11:41:00,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47 2026-02-10T11:41:00,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4 2026-02-10T11:41:00,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4 2026-02-10T11:41:00,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+ 2026-02-10T11:41:00,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+ 2026-02-10T11:41:00,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6 2026-02-10T11:41:00,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6 2026-02-10T11:41:00,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B 2026-02-10T11:41:00,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B 2026-02-10T11:41:00,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f 2026-02-10T11:41:00,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f 2026-02-10T11:41:00,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:41:00,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:41:00,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A 2026-02-10T11:41:00,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A 2026-02-10T11:41:00,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s 2026-02-10T11:41:00,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s 2026-02-10T11:41:00,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar 2026-02-10T11:41:00,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar 2026-02-10T11:41:00,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2 2026-02-10T11:41:00,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2 2026-02-10T11:41:00,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:41:00,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:41:00,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s 2026-02-10T11:41:00,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s 2026-02-10T11:41:00,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl 2026-02-10T11:41:00,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl 2026-02-10T11:41:00,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40 2026-02-10T11:41:00,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40 2026-02-10T11:41:00,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:41:00,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:41:00,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b 2026-02-10T11:41:00,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b 2026-02-10T11:41:00,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:41:00,954 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 2026-02-10T11:41:00,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12 2026-02-10T11:41:00,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12 2026-02-10T11:41:00,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh 2026-02-10T11:41:00,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh 2026-02-10T11:41:00,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B 2026-02-10T11:41:00,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B 2026-02-10T11:41:00,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71 2026-02-10T11:41:00,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71 2026-02-10T11:41:00,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5 2026-02-10T11:41:00,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5 2026-02-10T11:41:00,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24 2026-02-10T11:41:00,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24 2026-02-10T11:41:00,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2 2026-02-10T11:41:00,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2 2026-02-10T11:41:00,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts 2026-02-10T11:41:00,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts 2026-02-10T11:41:00,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2 2026-02-10T11:41:00,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2 2026-02-10T11:41:00,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:41:00,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:41:00,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr 2026-02-10T11:41:00,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr 2026-02-10T11:41:00,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c 2026-02-10T11:41:00,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c 2026-02-10T11:41:00,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2 2026-02-10T11:41:00,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2 2026-02-10T11:41:00,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f 2026-02-10T11:41:00,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f 2026-02-10T11:41:01,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn 2026-02-10T11:41:01,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn 2026-02-10T11:41:01,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:41:01,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:41:01,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+ 2026-02-10T11:41:01,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+ 2026-02-10T11:41:01,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3 2026-02-10T11:41:01,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3 2026-02-10T11:41:01,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2 2026-02-10T11:41:01,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2 2026-02-10T11:41:01,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+ 2026-02-10T11:41:01,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+ 2026-02-10T11:41:01,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39 2026-02-10T11:41:01,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39 2026-02-10T11:41:01,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4 2026-02-10T11:41:01,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4 2026-02-10T11:41:01,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al 2026-02-10T11:41:01,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al 2026-02-10T11:41:01,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:41:01,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:41:01,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn 2026-02-10T11:41:01,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn 2026-02-10T11:41:01,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68 2026-02-10T11:41:01,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68 2026-02-10T11:41:01,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl 2026-02-10T11:41:01,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl 2026-02-10T11:41:01,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58 2026-02-10T11:41:01,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58 2026-02-10T11:41:01,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:41:01,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:41:01,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:41:01,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:41:01,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:41:01,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:41:01,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8 2026-02-10T11:41:01,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8 2026-02-10T11:41:01,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:41:01,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:41:01,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp 2026-02-10T11:41:01,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp 2026-02-10T11:41:01,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2 2026-02-10T11:41:01,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2 2026-02-10T11:41:01,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2 2026-02-10T11:41:01,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2 2026-02-10T11:41:01,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:41:01,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:41:01,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:41:01,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:41:01,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:41:01,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:41:01,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s 2026-02-10T11:41:01,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s 2026-02-10T11:41:01,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3 2026-02-10T11:41:01,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3 2026-02-10T11:41:01,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:41:01,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:41:01,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s 2026-02-10T11:41:01,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s 2026-02-10T11:41:01,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:41:01,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:41:01,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3 2026-02-10T11:41:01,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3 2026-02-10T11:41:01,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3 2026-02-10T11:41:01,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3 2026-02-10T11:41:01,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:41:01,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:41:01,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:41:01,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:41:01,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:41:01,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:41:01,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3 2026-02-10T11:41:01,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3 2026-02-10T11:41:01,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:41:01,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:41:01,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:41:01,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:41:01,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:41:01,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:41:01,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:41:01,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:41:01,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:41:01,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:41:01,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3 2026-02-10T11:41:01,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3 2026-02-10T11:41:01,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3 2026-02-10T11:41:01,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3 2026-02-10T11:41:01,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:41:01,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:41:01,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:41:01,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:41:01,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s 2026-02-10T11:41:01,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s 2026-02-10T11:41:01,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:41:01,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:41:01,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2 2026-02-10T11:41:01,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2 2026-02-10T11:41:01,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:41:01,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:41:01,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:41:01,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:41:01,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:41:01,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:41:01,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22 2026-02-10T11:41:01,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22 2026-02-10T11:41:01,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX 2026-02-10T11:41:01,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX 2026-02-10T11:41:01,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:41:01,172 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- 2026-02-10T11:41:01,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:41:01,176 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+ 2026-02-10T11:41:01,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:41:01,179 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- 2026-02-10T11:41:01,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg 2026-02-10T11:41:01,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg 2026-02-10T11:41:01,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T 2026-02-10T11:41:01,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T 2026-02-10T11:41:01,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt 2026-02-10T11:41:01,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt 2026-02-10T11:41:01,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG 2026-02-10T11:41:01,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG 2026-02-10T11:41:01,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:41:01,195 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+ 2026-02-10T11:41:01,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt 2026-02-10T11:41:01,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt 2026-02-10T11:41:01,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:41:01,202 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- 2026-02-10T11:41:01,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg 2026-02-10T11:41:01,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg 2026-02-10T11:41:01,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt 2026-02-10T11:41:01,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt 2026-02-10T11:41:01,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G 2026-02-10T11:41:01,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G 2026-02-10T11:41:01,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG 2026-02-10T11:41:01,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG 2026-02-10T11:41:01,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg 2026-02-10T11:41:01,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg 2026-02-10T11:41:01,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT 2026-02-10T11:41:01,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT 2026-02-10T11:41:01,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:41:01,224 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- 2026-02-10T11:41:01,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1 2026-02-10T11:41:01,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1 2026-02-10T11:41:01,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10 2026-02-10T11:41:01,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10 2026-02-10T11:41:01,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5 2026-02-10T11:41:01,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5 2026-02-10T11:41:01,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7 2026-02-10T11:41:01,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7 2026-02-10T11:41:01,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6 2026-02-10T11:41:01,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6 2026-02-10T11:41:01,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15 2026-02-10T11:41:01,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15 2026-02-10T11:41:01,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6 2026-02-10T11:41:01,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6 2026-02-10T11:41:01,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16 2026-02-10T11:41:01,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16 2026-02-10T11:41:01,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5 2026-02-10T11:41:01,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5 2026-02-10T11:41:01,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4 2026-02-10T11:41:01,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4 2026-02-10T11:41:01,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2 2026-02-10T11:41:01,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2 2026-02-10T11:41:01,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4 2026-02-10T11:41:01,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4 2026-02-10T11:41:01,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7 2026-02-10T11:41:01,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7 2026-02-10T11:41:01,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4 2026-02-10T11:41:01,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4 2026-02-10T11:41:01,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8 2026-02-10T11:41:01,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8 2026-02-10T11:41:01,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10 2026-02-10T11:41:01,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10 2026-02-10T11:41:01,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11 2026-02-10T11:41:01,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11 2026-02-10T11:41:01,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14 2026-02-10T11:41:01,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14 2026-02-10T11:41:01,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9 2026-02-10T11:41:01,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9 2026-02-10T11:41:01,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6 2026-02-10T11:41:01,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6 2026-02-10T11:41:01,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3 2026-02-10T11:41:01,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3 2026-02-10T11:41:01,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14 2026-02-10T11:41:01,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14 2026-02-10T11:41:01,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15 2026-02-10T11:41:01,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15 2026-02-10T11:41:01,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12 2026-02-10T11:41:01,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12 2026-02-10T11:41:01,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13 2026-02-10T11:41:01,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13 2026-02-10T11:41:01,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1 2026-02-10T11:41:01,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1 2026-02-10T11:41:01,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3 2026-02-10T11:41:01,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3 2026-02-10T11:41:01,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4 2026-02-10T11:41:01,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4 2026-02-10T11:41:01,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11 2026-02-10T11:41:01,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11 2026-02-10T11:41:01,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3 2026-02-10T11:41:01,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3 2026-02-10T11:41:01,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1 2026-02-10T11:41:01,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1 2026-02-10T11:41:01,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12 2026-02-10T11:41:01,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12 2026-02-10T11:41:01,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5 2026-02-10T11:41:01,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5 2026-02-10T11:41:01,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2 2026-02-10T11:41:01,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2 2026-02-10T11:41:01,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8 2026-02-10T11:41:01,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8 2026-02-10T11:41:01,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9 2026-02-10T11:41:01,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9 2026-02-10T11:41:01,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13 2026-02-10T11:41:01,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13 2026-02-10T11:41:01,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2 2026-02-10T11:41:01,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2 2026-02-10T11:41:01,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2 2026-02-10T11:41:01,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2 2026-02-10T11:41:01,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9 2026-02-10T11:41:01,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9 2026-02-10T11:41:01,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6 2026-02-10T11:41:01,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6 2026-02-10T11:41:01,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1 2026-02-10T11:41:01,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1 2026-02-10T11:41:01,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2 2026-02-10T11:41:01,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2 2026-02-10T11:41:01,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1 2026-02-10T11:41:01,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1 2026-02-10T11:41:01,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7 2026-02-10T11:41:01,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7 2026-02-10T11:41:01,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10 2026-02-10T11:41:01,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10 2026-02-10T11:41:01,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5 2026-02-10T11:41:01,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5 2026-02-10T11:41:01,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4 2026-02-10T11:41:01,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4 2026-02-10T11:41:01,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10 2026-02-10T11:41:01,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10 2026-02-10T11:41:01,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9 2026-02-10T11:41:01,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9 2026-02-10T11:41:01,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3 2026-02-10T11:41:01,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3 2026-02-10T11:41:01,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5 2026-02-10T11:41:01,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5 2026-02-10T11:41:01,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4 2026-02-10T11:41:01,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4 2026-02-10T11:41:01,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7 2026-02-10T11:41:01,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7 2026-02-10T11:41:01,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8 2026-02-10T11:41:01,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8 2026-02-10T11:41:01,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8 2026-02-10T11:41:01,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8 2026-02-10T11:41:01,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6 2026-02-10T11:41:01,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6 2026-02-10T11:41:01,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3 2026-02-10T11:41:01,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3 2026-02-10T11:41:01,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:41:01,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:41:01,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20 2026-02-10T11:41:01,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20 2026-02-10T11:41:01,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8 2026-02-10T11:41:01,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8 2026-02-10T11:41:01,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh 2026-02-10T11:41:01,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh 2026-02-10T11:41:01,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc 2026-02-10T11:41:01,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc 2026-02-10T11:41:01,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh- 2026-02-10T11:41:01,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh- 2026-02-10T11:41:01,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19 2026-02-10T11:41:01,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19 2026-02-10T11:41:01,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:41:01,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:41:01,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:41:01,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:41:01,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf 2026-02-10T11:41:01,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf 2026-02-10T11:41:01,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co 2026-02-10T11:41:01,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co 2026-02-10T11:41:01,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots 2026-02-10T11:41:01,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots 2026-02-10T11:41:01,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:41:01,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:41:01,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07 2026-02-10T11:41:01,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07 2026-02-10T11:41:01,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:41:01,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:41:01,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2 2026-02-10T11:41:01,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2 2026-02-10T11:41:01,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:41:01,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:41:01,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4 2026-02-10T11:41:01,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4 2026-02-10T11:41:01,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f- 2026-02-10T11:41:01,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f- 2026-02-10T11:41:01,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O 2026-02-10T11:41:01,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O 2026-02-10T11:41:01,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2 2026-02-10T11:41:01,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2 2026-02-10T11:41:01,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2 2026-02-10T11:41:01,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2 2026-02-10T11:41:01,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3 2026-02-10T11:41:01,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3 2026-02-10T11:41:01,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17 2026-02-10T11:41:01,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17 2026-02-10T11:41:01,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22 2026-02-10T11:41:01,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22 2026-02-10T11:41:01,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14 2026-02-10T11:41:01,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14 2026-02-10T11:41:01,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13 2026-02-10T11:41:01,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13 2026-02-10T11:41:01,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H 2026-02-10T11:41:01,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H 2026-02-10T11:41:01,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:41:01,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:41:01,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS 2026-02-10T11:41:01,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS 2026-02-10T11:41:01,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl- 2026-02-10T11:41:01,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl- 2026-02-10T11:41:01,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:41:01,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:41:01,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S 2026-02-10T11:41:01,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S 2026-02-10T11:41:01,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf 2026-02-10T11:41:01,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf 2026-02-10T11:41:01,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04 2026-02-10T11:41:01,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04 2026-02-10T11:41:01,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3 2026-02-10T11:41:01,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3 2026-02-10T11:41:01,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02 2026-02-10T11:41:01,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02 2026-02-10T11:41:01,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco 2026-02-10T11:41:01,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco 2026-02-10T11:41:01,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16 2026-02-10T11:41:01,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16 2026-02-10T11:41:01,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h 2026-02-10T11:41:01,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h 2026-02-10T11:41:01,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18 2026-02-10T11:41:01,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18 2026-02-10T11:41:01,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:41:01,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:41:01,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6 2026-02-10T11:41:01,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6 2026-02-10T11:41:01,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:41:01,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:41:01,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4 2026-02-10T11:41:01,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4 2026-02-10T11:41:01,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2 2026-02-10T11:41:01,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2 2026-02-10T11:41:01,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11 2026-02-10T11:41:01,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11 2026-02-10T11:41:01,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:41:01,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:41:01,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:41:01,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:41:01,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01 2026-02-10T11:41:01,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01 2026-02-10T11:41:01,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10 2026-02-10T11:41:01,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10 2026-02-10T11:41:01,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:41:01,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:41:01,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:41:01,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:41:01,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts 2026-02-10T11:41:01,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts 2026-02-10T11:41:01,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2 2026-02-10T11:41:01,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2 2026-02-10T11:41:01,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5 2026-02-10T11:41:01,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5 2026-02-10T11:41:01,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12 2026-02-10T11:41:01,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12 2026-02-10T11:41:01,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06 2026-02-10T11:41:01,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06 2026-02-10T11:41:01,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:41:01,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:41:01,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15 2026-02-10T11:41:01,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15 2026-02-10T11:41:01,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7 2026-02-10T11:41:01,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7 2026-02-10T11:41:01,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O 2026-02-10T11:41:01,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O 2026-02-10T11:41:01,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08 2026-02-10T11:41:01,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08 2026-02-10T11:41:01,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:41:01,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:41:01,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05 2026-02-10T11:41:01,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05 2026-02-10T11:41:01,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:41:01,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:41:01,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f 2026-02-10T11:41:01,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f 2026-02-10T11:41:01,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl 2026-02-10T11:41:01,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl 2026-02-10T11:41:01,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2 2026-02-10T11:41:01,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2 2026-02-10T11:41:01,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts 2026-02-10T11:41:01,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts 2026-02-10T11:41:01,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:41:01,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:41:01,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03 2026-02-10T11:41:01,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03 2026-02-10T11:41:01,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:41:01,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:41:01,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:41:01,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:41:01,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts 2026-02-10T11:41:01,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts 2026-02-10T11:41:01,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2 2026-02-10T11:41:01,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2 2026-02-10T11:41:01,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o 2026-02-10T11:41:01,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o 2026-02-10T11:41:01,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:41:01,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:41:01,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f 2026-02-10T11:41:01,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f 2026-02-10T11:41:01,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3 2026-02-10T11:41:01,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3 2026-02-10T11:41:01,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21 2026-02-10T11:41:01,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21 2026-02-10T11:41:01,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn 2026-02-10T11:41:01,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn 2026-02-10T11:41:01,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl 2026-02-10T11:41:01,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl 2026-02-10T11:41:01,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5 2026-02-10T11:41:01,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5 2026-02-10T11:41:01,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH 2026-02-10T11:41:01,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH 2026-02-10T11:41:01,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09 2026-02-10T11:41:01,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09 2026-02-10T11:41:01,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3 2026-02-10T11:41:01,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3 2026-02-10T11:41:01,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42 2026-02-10T11:41:01,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42 2026-02-10T11:41:01,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71 2026-02-10T11:41:01,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71 2026-02-10T11:41:01,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:41:01,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:41:01,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0 2026-02-10T11:41:01,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0 2026-02-10T11:41:01,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42 2026-02-10T11:41:01,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42 2026-02-10T11:41:01,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42 2026-02-10T11:41:01,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42 2026-02-10T11:41:01,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3 2026-02-10T11:41:01,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3 2026-02-10T11:41:01,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:41:01,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:41:01,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1 2026-02-10T11:41:01,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1 2026-02-10T11:41:01,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0 2026-02-10T11:41:01,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0 2026-02-10T11:41:01,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0 2026-02-10T11:41:01,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0 2026-02-10T11:41:01,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2 2026-02-10T11:41:01,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2 2026-02-10T11:41:01,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4 2026-02-10T11:41:01,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4 2026-02-10T11:41:01,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43 2026-02-10T11:41:01,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43 2026-02-10T11:41:01,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71 2026-02-10T11:41:01,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71 2026-02-10T11:41:01,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:41:01,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:41:01,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2 2026-02-10T11:41:01,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2 2026-02-10T11:41:01,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41 2026-02-10T11:41:01,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41 2026-02-10T11:41:01,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72 2026-02-10T11:41:01,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72 2026-02-10T11:41:01,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1 2026-02-10T11:41:01,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1 2026-02-10T11:41:01,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72 2026-02-10T11:41:01,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72 2026-02-10T11:41:01,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41 2026-02-10T11:41:01,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41 2026-02-10T11:41:01,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2 2026-02-10T11:41:01,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2 2026-02-10T11:41:01,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1 2026-02-10T11:41:01,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1 2026-02-10T11:41:01,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41 2026-02-10T11:41:01,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41 2026-02-10T11:41:01,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3 2026-02-10T11:41:01,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3 2026-02-10T11:41:01,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2 2026-02-10T11:41:01,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2 2026-02-10T11:41:01,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0 2026-02-10T11:41:01,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0 2026-02-10T11:41:01,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0 2026-02-10T11:41:01,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0 2026-02-10T11:41:01,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2 2026-02-10T11:41:01,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2 2026-02-10T11:41:01,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A 2026-02-10T11:41:01,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A 2026-02-10T11:41:01,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B 2026-02-10T11:41:01,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B 2026-02-10T11:41:01,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B 2026-02-10T11:41:01,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B 2026-02-10T11:41:01,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A 2026-02-10T11:41:01,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A 2026-02-10T11:41:01,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07 2026-02-10T11:41:01,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07 2026-02-10T11:41:01,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A 2026-02-10T11:41:01,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A 2026-02-10T11:41:01,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A 2026-02-10T11:41:01,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A 2026-02-10T11:41:01,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B 2026-02-10T11:41:01,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B 2026-02-10T11:41:01,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A 2026-02-10T11:41:01,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A 2026-02-10T11:41:01,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A 2026-02-10T11:41:01,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A 2026-02-10T11:41:01,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B 2026-02-10T11:41:01,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B 2026-02-10T11:41:01,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B 2026-02-10T11:41:01,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B 2026-02-10T11:41:01,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36 2026-02-10T11:41:01,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36 2026-02-10T11:41:01,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B 2026-02-10T11:41:01,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B 2026-02-10T11:41:01,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02 2026-02-10T11:41:01,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02 2026-02-10T11:41:01,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B 2026-02-10T11:41:01,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B 2026-02-10T11:41:01,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A 2026-02-10T11:41:01,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A 2026-02-10T11:41:01,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A 2026-02-10T11:41:01,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A 2026-02-10T11:41:01,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B 2026-02-10T11:41:01,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B 2026-02-10T11:41:01,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64 2026-02-10T11:41:01,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64 2026-02-10T11:41:01,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A 2026-02-10T11:41:01,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A 2026-02-10T11:41:01,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12 2026-02-10T11:41:01,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12 2026-02-10T11:41:01,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A 2026-02-10T11:41:01,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A 2026-02-10T11:41:01,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A 2026-02-10T11:41:01,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A 2026-02-10T11:41:01,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A 2026-02-10T11:41:01,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A 2026-02-10T11:41:01,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B 2026-02-10T11:41:01,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B 2026-02-10T11:41:01,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B 2026-02-10T11:41:01,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B 2026-02-10T11:41:01,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B 2026-02-10T11:41:01,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B 2026-02-10T11:41:01,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A 2026-02-10T11:41:01,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A 2026-02-10T11:41:01,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27 2026-02-10T11:41:01,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27 2026-02-10T11:41:01,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A 2026-02-10T11:41:01,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A 2026-02-10T11:41:01,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18 2026-02-10T11:41:01,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18 2026-02-10T11:41:01,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B 2026-02-10T11:41:01,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B 2026-02-10T11:41:01,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A 2026-02-10T11:41:01,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A 2026-02-10T11:41:01,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A 2026-02-10T11:41:01,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A 2026-02-10T11:41:01,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34 2026-02-10T11:41:01,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34 2026-02-10T11:41:01,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13 2026-02-10T11:41:01,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13 2026-02-10T11:41:01,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A 2026-02-10T11:41:01,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A 2026-02-10T11:41:01,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62 2026-02-10T11:41:01,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62 2026-02-10T11:41:01,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A 2026-02-10T11:41:01,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A 2026-02-10T11:41:01,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B 2026-02-10T11:41:01,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B 2026-02-10T11:41:01,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B 2026-02-10T11:41:01,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B 2026-02-10T11:41:01,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A 2026-02-10T11:41:01,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A 2026-02-10T11:41:01,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B 2026-02-10T11:41:01,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B 2026-02-10T11:41:01,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A 2026-02-10T11:41:01,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A 2026-02-10T11:41:01,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A 2026-02-10T11:41:01,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A 2026-02-10T11:41:01,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B 2026-02-10T11:41:01,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B 2026-02-10T11:41:01,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48 2026-02-10T11:41:01,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48 2026-02-10T11:41:01,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B 2026-02-10T11:41:01,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B 2026-02-10T11:41:01,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45 2026-02-10T11:41:01,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45 2026-02-10T11:41:01,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46 2026-02-10T11:41:01,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46 2026-02-10T11:41:01,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B 2026-02-10T11:41:01,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B 2026-02-10T11:41:01,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A 2026-02-10T11:41:01,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A 2026-02-10T11:41:01,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66 2026-02-10T11:41:01,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66 2026-02-10T11:41:01,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B 2026-02-10T11:41:01,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B 2026-02-10T11:41:01,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38 2026-02-10T11:41:01,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38 2026-02-10T11:41:01,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49 2026-02-10T11:41:01,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49 2026-02-10T11:41:01,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A 2026-02-10T11:41:01,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A 2026-02-10T11:41:01,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A 2026-02-10T11:41:01,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A 2026-02-10T11:41:01,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A 2026-02-10T11:41:02,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A 2026-02-10T11:41:02,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05 2026-02-10T11:41:02,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05 2026-02-10T11:41:02,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20 2026-02-10T11:41:02,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20 2026-02-10T11:41:02,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01 2026-02-10T11:41:02,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01 2026-02-10T11:41:02,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A 2026-02-10T11:41:02,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A 2026-02-10T11:41:02,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55 2026-02-10T11:41:02,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55 2026-02-10T11:41:02,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A 2026-02-10T11:41:02,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A 2026-02-10T11:41:02,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61 2026-02-10T11:41:02,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61 2026-02-10T11:41:02,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B 2026-02-10T11:41:02,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B 2026-02-10T11:41:02,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A 2026-02-10T11:41:02,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A 2026-02-10T11:41:02,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B 2026-02-10T11:41:02,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B 2026-02-10T11:41:02,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59 2026-02-10T11:41:02,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59 2026-02-10T11:41:02,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08 2026-02-10T11:41:02,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08 2026-02-10T11:41:02,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B 2026-02-10T11:41:02,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B 2026-02-10T11:41:02,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B 2026-02-10T11:41:02,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B 2026-02-10T11:41:02,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A 2026-02-10T11:41:02,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A 2026-02-10T11:41:02,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B 2026-02-10T11:41:02,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B 2026-02-10T11:41:02,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A 2026-02-10T11:41:02,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A 2026-02-10T11:41:02,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B 2026-02-10T11:41:02,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B 2026-02-10T11:41:02,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41 2026-02-10T11:41:02,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41 2026-02-10T11:41:02,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63 2026-02-10T11:41:02,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63 2026-02-10T11:41:02,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B 2026-02-10T11:41:02,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B 2026-02-10T11:41:02,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B 2026-02-10T11:41:02,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B 2026-02-10T11:41:02,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B 2026-02-10T11:41:02,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B 2026-02-10T11:41:02,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B 2026-02-10T11:41:02,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B 2026-02-10T11:41:02,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04 2026-02-10T11:41:02,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04 2026-02-10T11:41:02,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A 2026-02-10T11:41:02,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A 2026-02-10T11:41:02,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A 2026-02-10T11:41:02,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A 2026-02-10T11:41:02,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16 2026-02-10T11:41:02,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16 2026-02-10T11:41:02,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A 2026-02-10T11:41:02,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A 2026-02-10T11:41:02,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B 2026-02-10T11:41:02,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B 2026-02-10T11:41:02,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B 2026-02-10T11:41:02,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B 2026-02-10T11:41:02,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A 2026-02-10T11:41:02,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A 2026-02-10T11:41:02,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B 2026-02-10T11:41:02,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B 2026-02-10T11:41:02,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A 2026-02-10T11:41:02,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A 2026-02-10T11:41:02,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B 2026-02-10T11:41:02,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B 2026-02-10T11:41:02,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A 2026-02-10T11:41:02,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A 2026-02-10T11:41:02,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44 2026-02-10T11:41:02,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44 2026-02-10T11:41:02,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A 2026-02-10T11:41:02,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A 2026-02-10T11:41:02,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B 2026-02-10T11:41:02,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B 2026-02-10T11:41:02,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A 2026-02-10T11:41:02,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A 2026-02-10T11:41:02,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25 2026-02-10T11:41:02,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25 2026-02-10T11:41:02,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30 2026-02-10T11:41:02,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30 2026-02-10T11:41:02,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54 2026-02-10T11:41:02,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54 2026-02-10T11:41:02,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B 2026-02-10T11:41:02,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B 2026-02-10T11:41:02,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B 2026-02-10T11:41:02,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B 2026-02-10T11:41:02,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A 2026-02-10T11:41:02,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A 2026-02-10T11:41:02,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B 2026-02-10T11:41:02,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B 2026-02-10T11:41:02,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B 2026-02-10T11:41:02,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B 2026-02-10T11:41:02,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B 2026-02-10T11:41:02,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B 2026-02-10T11:41:02,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A 2026-02-10T11:41:02,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A 2026-02-10T11:41:02,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B 2026-02-10T11:41:02,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B 2026-02-10T11:41:02,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53 2026-02-10T11:41:02,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53 2026-02-10T11:41:02,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B 2026-02-10T11:41:02,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B 2026-02-10T11:41:02,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B 2026-02-10T11:41:02,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B 2026-02-10T11:41:02,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B 2026-02-10T11:41:02,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B 2026-02-10T11:41:02,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43 2026-02-10T11:41:02,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43 2026-02-10T11:41:02,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57 2026-02-10T11:41:02,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57 2026-02-10T11:41:02,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B 2026-02-10T11:41:02,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B 2026-02-10T11:41:02,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56 2026-02-10T11:41:02,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56 2026-02-10T11:41:02,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09 2026-02-10T11:41:02,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09 2026-02-10T11:41:02,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37 2026-02-10T11:41:02,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37 2026-02-10T11:41:02,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22 2026-02-10T11:41:02,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22 2026-02-10T11:41:02,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A 2026-02-10T11:41:02,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A 2026-02-10T11:41:02,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A 2026-02-10T11:41:02,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A 2026-02-10T11:41:02,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A 2026-02-10T11:41:02,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A 2026-02-10T11:41:02,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A 2026-02-10T11:41:02,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A 2026-02-10T11:41:02,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23 2026-02-10T11:41:02,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23 2026-02-10T11:41:02,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B 2026-02-10T11:41:02,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B 2026-02-10T11:41:02,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A 2026-02-10T11:41:02,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A 2026-02-10T11:41:02,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A 2026-02-10T11:41:02,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A 2026-02-10T11:41:02,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A 2026-02-10T11:41:02,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A 2026-02-10T11:41:02,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A 2026-02-10T11:41:02,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A 2026-02-10T11:41:02,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A 2026-02-10T11:41:02,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A 2026-02-10T11:41:02,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B 2026-02-10T11:41:02,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B 2026-02-10T11:41:02,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A 2026-02-10T11:41:02,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A 2026-02-10T11:41:02,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10 2026-02-10T11:41:02,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10 2026-02-10T11:41:02,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47 2026-02-10T11:41:02,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47 2026-02-10T11:41:02,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06 2026-02-10T11:41:02,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06 2026-02-10T11:41:02,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28 2026-02-10T11:41:02,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28 2026-02-10T11:41:02,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B 2026-02-10T11:41:02,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B 2026-02-10T11:41:02,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26 2026-02-10T11:41:02,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26 2026-02-10T11:41:02,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A 2026-02-10T11:41:02,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A 2026-02-10T11:41:02,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A 2026-02-10T11:41:02,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A 2026-02-10T11:41:02,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A 2026-02-10T11:41:02,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A 2026-02-10T11:41:02,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40 2026-02-10T11:41:02,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40 2026-02-10T11:41:02,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50 2026-02-10T11:41:02,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50 2026-02-10T11:41:02,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A 2026-02-10T11:41:02,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A 2026-02-10T11:41:02,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B 2026-02-10T11:41:02,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B 2026-02-10T11:41:02,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51 2026-02-10T11:41:02,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51 2026-02-10T11:41:02,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B 2026-02-10T11:41:02,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B 2026-02-10T11:41:02,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11 2026-02-10T11:41:02,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11 2026-02-10T11:41:02,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32 2026-02-10T11:41:02,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32 2026-02-10T11:41:02,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B 2026-02-10T11:41:02,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B 2026-02-10T11:41:02,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A 2026-02-10T11:41:02,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A 2026-02-10T11:41:02,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B 2026-02-10T11:41:02,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B 2026-02-10T11:41:02,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A 2026-02-10T11:41:02,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A 2026-02-10T11:41:02,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24 2026-02-10T11:41:02,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24 2026-02-10T11:41:02,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A 2026-02-10T11:41:02,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A 2026-02-10T11:41:02,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15 2026-02-10T11:41:02,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15 2026-02-10T11:41:02,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B 2026-02-10T11:41:02,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B 2026-02-10T11:41:02,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B 2026-02-10T11:41:02,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B 2026-02-10T11:41:02,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B 2026-02-10T11:41:02,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B 2026-02-10T11:41:02,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03 2026-02-10T11:41:02,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03 2026-02-10T11:41:02,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A 2026-02-10T11:41:02,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A 2026-02-10T11:41:02,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17 2026-02-10T11:41:02,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17 2026-02-10T11:41:02,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B 2026-02-10T11:41:02,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B 2026-02-10T11:41:02,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B 2026-02-10T11:41:02,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B 2026-02-10T11:41:02,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21 2026-02-10T11:41:02,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21 2026-02-10T11:41:02,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A 2026-02-10T11:41:02,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A 2026-02-10T11:41:02,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A 2026-02-10T11:41:02,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A 2026-02-10T11:41:02,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B 2026-02-10T11:41:02,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B 2026-02-10T11:41:02,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B 2026-02-10T11:41:02,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B 2026-02-10T11:41:02,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B 2026-02-10T11:41:02,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B 2026-02-10T11:41:02,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60 2026-02-10T11:41:02,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60 2026-02-10T11:41:02,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A 2026-02-10T11:41:02,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A 2026-02-10T11:41:02,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52 2026-02-10T11:41:02,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52 2026-02-10T11:41:02,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42 2026-02-10T11:41:02,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42 2026-02-10T11:41:02,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A 2026-02-10T11:41:02,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A 2026-02-10T11:41:02,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39 2026-02-10T11:41:02,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39 2026-02-10T11:41:02,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35 2026-02-10T11:41:02,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35 2026-02-10T11:41:02,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B 2026-02-10T11:41:02,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B 2026-02-10T11:41:02,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14 2026-02-10T11:41:02,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14 2026-02-10T11:41:02,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B 2026-02-10T11:41:02,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B 2026-02-10T11:41:02,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B 2026-02-10T11:41:02,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B 2026-02-10T11:41:02,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19 2026-02-10T11:41:02,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19 2026-02-10T11:41:02,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33 2026-02-10T11:41:02,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33 2026-02-10T11:41:02,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A 2026-02-10T11:41:02,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A 2026-02-10T11:41:02,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B 2026-02-10T11:41:02,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B 2026-02-10T11:41:02,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B 2026-02-10T11:41:02,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B 2026-02-10T11:41:02,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65 2026-02-10T11:41:02,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65 2026-02-10T11:41:02,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58 2026-02-10T11:41:02,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58 2026-02-10T11:41:02,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29 2026-02-10T11:41:02,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29 2026-02-10T11:41:02,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A 2026-02-10T11:41:02,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A 2026-02-10T11:41:02,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B 2026-02-10T11:41:02,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B 2026-02-10T11:41:02,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A 2026-02-10T11:41:02,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A 2026-02-10T11:41:02,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B 2026-02-10T11:41:02,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B 2026-02-10T11:41:02,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A 2026-02-10T11:41:02,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A 2026-02-10T11:41:02,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31 2026-02-10T11:41:02,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31 2026-02-10T11:41:02,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228 2026-02-10T11:41:02,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228 2026-02-10T11:41:02,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A 2026-02-10T11:41:02,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A 2026-02-10T11:41:02,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A 2026-02-10T11:41:02,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A 2026-02-10T11:41:02,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A 2026-02-10T11:41:02,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A 2026-02-10T11:41:02,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231 2026-02-10T11:41:02,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231 2026-02-10T11:41:02,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214 2026-02-10T11:41:02,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214 2026-02-10T11:41:02,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212 2026-02-10T11:41:02,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212 2026-02-10T11:41:02,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230 2026-02-10T11:41:02,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230 2026-02-10T11:41:02,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B 2026-02-10T11:41:02,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B 2026-02-10T11:41:02,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187 2026-02-10T11:41:02,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187 2026-02-10T11:41:02,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147 2026-02-10T11:41:02,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147 2026-02-10T11:41:02,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213 2026-02-10T11:41:02,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213 2026-02-10T11:41:02,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B 2026-02-10T11:41:02,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B 2026-02-10T11:41:02,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A 2026-02-10T11:41:02,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A 2026-02-10T11:41:02,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A 2026-02-10T11:41:02,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A 2026-02-10T11:41:02,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A 2026-02-10T11:41:02,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A 2026-02-10T11:41:02,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B 2026-02-10T11:41:02,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B 2026-02-10T11:41:02,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A 2026-02-10T11:41:02,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A 2026-02-10T11:41:02,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A 2026-02-10T11:41:02,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A 2026-02-10T11:41:02,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148 2026-02-10T11:41:02,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148 2026-02-10T11:41:02,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150 2026-02-10T11:41:02,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150 2026-02-10T11:41:02,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229 2026-02-10T11:41:02,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229 2026-02-10T11:41:02,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B 2026-02-10T11:41:02,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B 2026-02-10T11:41:02,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B 2026-02-10T11:41:02,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B 2026-02-10T11:41:02,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B 2026-02-10T11:41:02,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B 2026-02-10T11:41:02,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A 2026-02-10T11:41:02,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A 2026-02-10T11:41:02,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008 2026-02-10T11:41:02,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008 2026-02-10T11:41:02,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B 2026-02-10T11:41:02,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B 2026-02-10T11:41:02,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202 2026-02-10T11:41:02,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202 2026-02-10T11:41:02,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B 2026-02-10T11:41:02,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B 2026-02-10T11:41:02,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152 2026-02-10T11:41:02,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152 2026-02-10T11:41:02,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A 2026-02-10T11:41:02,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A 2026-02-10T11:41:02,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B 2026-02-10T11:41:02,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B 2026-02-10T11:41:02,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227 2026-02-10T11:41:02,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227 2026-02-10T11:41:02,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A 2026-02-10T11:41:02,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A 2026-02-10T11:41:02,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A 2026-02-10T11:41:02,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A 2026-02-10T11:41:02,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B 2026-02-10T11:41:02,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B 2026-02-10T11:41:02,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B 2026-02-10T11:41:02,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B 2026-02-10T11:41:02,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A 2026-02-10T11:41:02,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A 2026-02-10T11:41:02,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B 2026-02-10T11:41:02,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B 2026-02-10T11:41:02,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144 2026-02-10T11:41:02,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144 2026-02-10T11:41:02,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B 2026-02-10T11:41:02,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B 2026-02-10T11:41:02,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B 2026-02-10T11:41:02,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B 2026-02-10T11:41:02,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A 2026-02-10T11:41:02,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A 2026-02-10T11:41:02,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A 2026-02-10T11:41:02,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A 2026-02-10T11:41:02,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B 2026-02-10T11:41:02,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B 2026-02-10T11:41:02,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A 2026-02-10T11:41:02,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A 2026-02-10T11:41:02,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B 2026-02-10T11:41:02,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B 2026-02-10T11:41:02,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5 2026-02-10T11:41:02,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5 2026-02-10T11:41:02,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:41:02,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:41:02,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:41:02,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:41:02,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:41:02,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:41:02,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op 2026-02-10T11:41:02,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op 2026-02-10T11:41:02,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:41:02,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:41:02,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:41:02,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:41:02,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm 2026-02-10T11:41:02,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm 2026-02-10T11:41:02,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:41:02,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:41:02,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c 2026-02-10T11:41:02,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c 2026-02-10T11:41:02,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:41:02,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:41:02,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:41:02,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:41:02,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:41:02,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:41:02,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O 2026-02-10T11:41:02,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O 2026-02-10T11:41:02,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:41:02,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:41:02,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:41:02,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:41:02,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es 2026-02-10T11:41:02,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es 2026-02-10T11:41:02,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:41:02,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:41:02,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:41:02,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:41:02,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:41:02,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:41:02,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b 2026-02-10T11:41:02,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b 2026-02-10T11:41:02,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4 2026-02-10T11:41:02,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4 2026-02-10T11:41:02,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:41:02,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:41:02,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3 2026-02-10T11:41:02,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3 2026-02-10T11:41:02,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6 2026-02-10T11:41:02,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6 2026-02-10T11:41:02,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:41:02,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:41:02,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20 2026-02-10T11:41:02,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20 2026-02-10T11:41:02,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:41:02,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:41:02,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2 2026-02-10T11:41:02,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2 2026-02-10T11:41:02,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:41:02,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:41:02,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18 2026-02-10T11:41:02,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18 2026-02-10T11:41:02,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n 2026-02-10T11:41:02,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n 2026-02-10T11:41:02,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o 2026-02-10T11:41:02,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o 2026-02-10T11:41:02,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24 2026-02-10T11:41:02,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24 2026-02-10T11:41:02,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si- 2026-02-10T11:41:02,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si- 2026-02-10T11:41:02,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15 2026-02-10T11:41:02,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15 2026-02-10T11:41:02,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n 2026-02-10T11:41:02,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n 2026-02-10T11:41:02,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21 2026-02-10T11:41:02,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21 2026-02-10T11:41:02,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17 2026-02-10T11:41:02,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17 2026-02-10T11:41:02,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n 2026-02-10T11:41:02,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n 2026-02-10T11:41:02,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p- 2026-02-10T11:41:02,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p- 2026-02-10T11:41:02,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13 2026-02-10T11:41:02,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13 2026-02-10T11:41:02,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n 2026-02-10T11:41:02,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n 2026-02-10T11:41:02,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n 2026-02-10T11:41:02,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n 2026-02-10T11:41:02,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n 2026-02-10T11:41:02,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n 2026-02-10T11:41:02,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22 2026-02-10T11:41:02,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22 2026-02-10T11:41:02,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n 2026-02-10T11:41:02,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n 2026-02-10T11:41:02,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14 2026-02-10T11:41:02,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14 2026-02-10T11:41:02,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f 2026-02-10T11:41:02,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f 2026-02-10T11:41:02,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n 2026-02-10T11:41:02,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n 2026-02-10T11:41:02,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n 2026-02-10T11:41:02,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n 2026-02-10T11:41:02,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n 2026-02-10T11:41:02,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n 2026-02-10T11:41:02,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8 2026-02-10T11:41:02,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8 2026-02-10T11:41:02,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11 2026-02-10T11:41:02,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11 2026-02-10T11:41:02,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20 2026-02-10T11:41:02,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20 2026-02-10T11:41:02,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23 2026-02-10T11:41:02,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23 2026-02-10T11:41:02,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si 2026-02-10T11:41:02,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si 2026-02-10T11:41:02,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25 2026-02-10T11:41:02,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25 2026-02-10T11:41:02,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n 2026-02-10T11:41:02,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n 2026-02-10T11:41:02,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9 2026-02-10T11:41:02,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9 2026-02-10T11:41:02,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s 2026-02-10T11:41:02,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s 2026-02-10T11:41:02,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12 2026-02-10T11:41:02,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12 2026-02-10T11:41:02,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n 2026-02-10T11:41:02,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n 2026-02-10T11:41:02,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c 2026-02-10T11:41:02,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c 2026-02-10T11:41:02,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n 2026-02-10T11:41:02,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n 2026-02-10T11:41:02,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n 2026-02-10T11:41:02,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n 2026-02-10T11:41:02,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl 2026-02-10T11:41:02,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl 2026-02-10T11:41:02,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19 2026-02-10T11:41:02,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19 2026-02-10T11:41:02,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n 2026-02-10T11:41:02,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n 2026-02-10T11:41:02,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10 2026-02-10T11:41:02,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10 2026-02-10T11:41:02,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:41:02,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:41:02,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16 2026-02-10T11:41:02,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16 2026-02-10T11:41:02,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p 2026-02-10T11:41:02,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p 2026-02-10T11:41:02,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c- 2026-02-10T11:41:02,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c- 2026-02-10T11:41:02,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f- 2026-02-10T11:41:02,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f- 2026-02-10T11:41:02,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n 2026-02-10T11:41:02,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n 2026-02-10T11:41:02,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n 2026-02-10T11:41:02,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n 2026-02-10T11:41:02,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o- 2026-02-10T11:41:02,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o- 2026-02-10T11:41:02,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n 2026-02-10T11:41:02,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n 2026-02-10T11:41:02,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s- 2026-02-10T11:41:02,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s- 2026-02-10T11:41:02,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b 2026-02-10T11:41:02,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b 2026-02-10T11:41:02,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b 2026-02-10T11:41:02,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b 2026-02-10T11:41:02,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a 2026-02-10T11:41:02,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a 2026-02-10T11:41:02,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07 2026-02-10T11:41:02,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07 2026-02-10T11:41:02,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b 2026-02-10T11:41:02,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b 2026-02-10T11:41:02,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a 2026-02-10T11:41:02,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a 2026-02-10T11:41:02,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b 2026-02-10T11:41:02,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b 2026-02-10T11:41:02,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02 2026-02-10T11:41:02,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02 2026-02-10T11:41:02,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12 2026-02-10T11:41:02,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12 2026-02-10T11:41:02,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b 2026-02-10T11:41:02,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b 2026-02-10T11:41:02,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a 2026-02-10T11:41:02,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a 2026-02-10T11:41:02,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a 2026-02-10T11:41:02,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a 2026-02-10T11:41:02,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b 2026-02-10T11:41:02,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b 2026-02-10T11:41:02,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b 2026-02-10T11:41:02,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b 2026-02-10T11:41:02,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18 2026-02-10T11:41:02,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18 2026-02-10T11:41:02,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13 2026-02-10T11:41:02,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13 2026-02-10T11:41:02,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a 2026-02-10T11:41:02,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a 2026-02-10T11:41:02,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a 2026-02-10T11:41:02,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a 2026-02-10T11:41:02,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a 2026-02-10T11:41:02,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a 2026-02-10T11:41:02,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b 2026-02-10T11:41:02,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b 2026-02-10T11:41:02,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05 2026-02-10T11:41:02,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05 2026-02-10T11:41:02,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20 2026-02-10T11:41:02,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20 2026-02-10T11:41:02,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01 2026-02-10T11:41:02,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01 2026-02-10T11:41:02,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a 2026-02-10T11:41:02,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a 2026-02-10T11:41:02,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a 2026-02-10T11:41:02,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a 2026-02-10T11:41:02,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b 2026-02-10T11:41:02,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b 2026-02-10T11:41:02,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b 2026-02-10T11:41:02,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b 2026-02-10T11:41:02,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a 2026-02-10T11:41:02,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a 2026-02-10T11:41:02,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08 2026-02-10T11:41:02,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08 2026-02-10T11:41:02,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b 2026-02-10T11:41:02,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b 2026-02-10T11:41:02,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a 2026-02-10T11:41:02,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a 2026-02-10T11:41:02,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04 2026-02-10T11:41:02,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04 2026-02-10T11:41:02,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16 2026-02-10T11:41:02,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16 2026-02-10T11:41:02,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a 2026-02-10T11:41:02,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a 2026-02-10T11:41:02,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b 2026-02-10T11:41:02,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b 2026-02-10T11:41:02,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a 2026-02-10T11:41:02,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a 2026-02-10T11:41:02,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a 2026-02-10T11:41:02,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a 2026-02-10T11:41:03,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09 2026-02-10T11:41:03,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09 2026-02-10T11:41:03,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22 2026-02-10T11:41:03,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22 2026-02-10T11:41:03,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10 2026-02-10T11:41:03,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10 2026-02-10T11:41:03,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06 2026-02-10T11:41:03,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06 2026-02-10T11:41:03,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a 2026-02-10T11:41:03,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a 2026-02-10T11:41:03,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a 2026-02-10T11:41:03,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a 2026-02-10T11:41:03,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a 2026-02-10T11:41:03,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a 2026-02-10T11:41:03,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a 2026-02-10T11:41:03,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a 2026-02-10T11:41:03,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b 2026-02-10T11:41:03,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b 2026-02-10T11:41:03,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11 2026-02-10T11:41:03,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11 2026-02-10T11:41:03,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15 2026-02-10T11:41:03,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15 2026-02-10T11:41:03,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03 2026-02-10T11:41:03,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03 2026-02-10T11:41:03,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17 2026-02-10T11:41:03,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17 2026-02-10T11:41:03,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a 2026-02-10T11:41:03,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a 2026-02-10T11:41:03,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21 2026-02-10T11:41:03,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21 2026-02-10T11:41:03,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a 2026-02-10T11:41:03,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a 2026-02-10T11:41:03,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a 2026-02-10T11:41:03,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a 2026-02-10T11:41:03,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a 2026-02-10T11:41:03,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a 2026-02-10T11:41:03,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14 2026-02-10T11:41:03,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14 2026-02-10T11:41:03,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19 2026-02-10T11:41:03,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19 2026-02-10T11:41:03,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:41:03,069 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 2026-02-10T11:41:03,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:41:03,073 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 2026-02-10T11:41:03,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:41:03,076 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 2026-02-10T11:41:03,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he 2026-02-10T11:41:03,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he 2026-02-10T11:41:03,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:41:03,082 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 2026-02-10T11:41:03,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3 2026-02-10T11:41:03,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3 2026-02-10T11:41:03,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:41:03,089 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 2026-02-10T11:41:03,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:41:03,092 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 2026-02-10T11:41:03,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:41:03,095 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 2026-02-10T11:41:03,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:41:03,098 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 2026-02-10T11:41:03,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:41:03,102 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 2026-02-10T11:41:03,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:41:03,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:41:03,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:41:03,108 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 2026-02-10T11:41:03,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h 2026-02-10T11:41:03,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h 2026-02-10T11:41:03,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o 2026-02-10T11:41:03,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o 2026-02-10T11:41:03,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:41:03,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:41:03,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:41:03,121 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 2026-02-10T11:41:03,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:41:03,125 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 2026-02-10T11:41:03,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:41:03,128 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 2026-02-10T11:41:03,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:41:03,131 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 2026-02-10T11:41:03,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:41:03,134 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 2026-02-10T11:41:03,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+ 2026-02-10T11:41:03,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+ 2026-02-10T11:41:03,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:41:03,140 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 2026-02-10T11:41:03,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9 2026-02-10T11:41:03,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9 2026-02-10T11:41:03,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3 2026-02-10T11:41:03,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3 2026-02-10T11:41:03,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4 2026-02-10T11:41:03,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4 2026-02-10T11:41:03,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6 2026-02-10T11:41:03,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6 2026-02-10T11:41:03,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X 2026-02-10T11:41:03,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X 2026-02-10T11:41:03,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10 2026-02-10T11:41:03,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10 2026-02-10T11:41:03,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein 2026-02-10T11:41:03,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein 2026-02-10T11:41:03,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X 2026-02-10T11:41:03,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X 2026-02-10T11:41:03,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X 2026-02-10T11:41:03,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X 2026-02-10T11:41:03,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7 2026-02-10T11:41:03,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7 2026-02-10T11:41:03,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene 2026-02-10T11:41:03,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene 2026-02-10T11:41:03,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1 2026-02-10T11:41:03,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1 2026-02-10T11:41:03,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2 2026-02-10T11:41:03,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2 2026-02-10T11:41:03,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X 2026-02-10T11:41:03,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X 2026-02-10T11:41:03,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH 2026-02-10T11:41:03,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH 2026-02-10T11:41:03,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5 2026-02-10T11:41:03,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5 2026-02-10T11:41:03,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene 2026-02-10T11:41:03,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene 2026-02-10T11:41:03,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine 2026-02-10T11:41:03,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine 2026-02-10T11:41:03,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8 2026-02-10T11:41:03,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8 2026-02-10T11:41:03,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane 2026-02-10T11:41:03,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane 2026-02-10T11:41:03,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene 2026-02-10T11:41:03,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene 2026-02-10T11:41:03,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene 2026-02-10T11:41:03,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene 2026-02-10T11:41:03,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e 2026-02-10T11:41:03,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e 2026-02-10T11:41:03,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e 2026-02-10T11:41:03,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e 2026-02-10T11:41:03,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e 2026-02-10T11:41:03,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e 2026-02-10T11:41:03,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p 2026-02-10T11:41:03,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p 2026-02-10T11:41:03,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e 2026-02-10T11:41:03,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e 2026-02-10T11:41:03,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p 2026-02-10T11:41:03,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p 2026-02-10T11:41:03,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e 2026-02-10T11:41:03,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e 2026-02-10T11:41:03,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e 2026-02-10T11:41:03,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e 2026-02-10T11:41:03,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p 2026-02-10T11:41:03,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p 2026-02-10T11:41:03,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e 2026-02-10T11:41:03,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e 2026-02-10T11:41:03,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e 2026-02-10T11:41:03,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e 2026-02-10T11:41:03,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e 2026-02-10T11:41:03,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e 2026-02-10T11:41:03,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p 2026-02-10T11:41:03,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p 2026-02-10T11:41:03,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p 2026-02-10T11:41:03,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p 2026-02-10T11:41:03,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p 2026-02-10T11:41:03,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p 2026-02-10T11:41:03,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p 2026-02-10T11:41:03,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p 2026-02-10T11:41:03,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p 2026-02-10T11:41:03,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p 2026-02-10T11:41:03,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p 2026-02-10T11:41:03,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p 2026-02-10T11:41:03,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p 2026-02-10T11:41:03,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p 2026-02-10T11:41:03,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p 2026-02-10T11:41:03,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p 2026-02-10T11:41:03,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e 2026-02-10T11:41:03,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e 2026-02-10T11:41:03,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e 2026-02-10T11:41:03,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e 2026-02-10T11:41:03,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e 2026-02-10T11:41:03,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e 2026-02-10T11:41:03,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e 2026-02-10T11:41:03,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e 2026-02-10T11:41:03,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p 2026-02-10T11:41:03,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p 2026-02-10T11:41:03,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e 2026-02-10T11:41:03,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e 2026-02-10T11:41:03,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p 2026-02-10T11:41:03,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p 2026-02-10T11:41:03,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p 2026-02-10T11:41:03,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p 2026-02-10T11:41:03,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e 2026-02-10T11:41:03,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e 2026-02-10T11:41:03,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p 2026-02-10T11:41:03,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p 2026-02-10T11:41:03,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e 2026-02-10T11:41:03,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e 2026-02-10T11:41:03,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e 2026-02-10T11:41:03,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e 2026-02-10T11:41:03,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e 2026-02-10T11:41:03,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e 2026-02-10T11:41:03,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p 2026-02-10T11:41:03,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p 2026-02-10T11:41:03,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e 2026-02-10T11:41:03,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e 2026-02-10T11:41:03,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p 2026-02-10T11:41:03,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p 2026-02-10T11:41:03,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p 2026-02-10T11:41:03,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p 2026-02-10T11:41:03,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p 2026-02-10T11:41:03,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p 2026-02-10T11:41:03,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p 2026-02-10T11:41:03,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p 2026-02-10T11:41:03,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e 2026-02-10T11:41:03,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e 2026-02-10T11:41:03,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p 2026-02-10T11:41:03,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p 2026-02-10T11:41:03,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p 2026-02-10T11:41:03,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p 2026-02-10T11:41:03,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e 2026-02-10T11:41:03,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e 2026-02-10T11:41:03,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e 2026-02-10T11:41:03,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e 2026-02-10T11:41:03,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p 2026-02-10T11:41:03,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p 2026-02-10T11:41:03,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e 2026-02-10T11:41:03,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e 2026-02-10T11:41:03,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e 2026-02-10T11:41:03,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e 2026-02-10T11:41:03,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p 2026-02-10T11:41:03,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p 2026-02-10T11:41:03,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh 2026-02-10T11:41:03,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh 2026-02-10T11:41:03,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4 2026-02-10T11:41:03,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4 2026-02-10T11:41:03,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A 2026-02-10T11:41:03,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A 2026-02-10T11:41:03,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p 2026-02-10T11:41:03,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p 2026-02-10T11:41:03,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p 2026-02-10T11:41:03,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p 2026-02-10T11:41:03,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s 2026-02-10T11:41:03,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s 2026-02-10T11:41:03,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3 2026-02-10T11:41:03,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3 2026-02-10T11:41:03,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp 2026-02-10T11:41:03,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp 2026-02-10T11:41:03,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G 2026-02-10T11:41:03,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G 2026-02-10T11:41:03,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol 2026-02-10T11:41:03,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol 2026-02-10T11:41:03,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp 2026-02-10T11:41:03,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp 2026-02-10T11:41:03,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6 2026-02-10T11:41:03,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6 2026-02-10T11:41:03,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2 2026-02-10T11:41:03,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2 2026-02-10T11:41:03,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp 2026-02-10T11:41:03,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp 2026-02-10T11:41:03,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4 2026-02-10T11:41:03,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4 2026-02-10T11:41:03,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp 2026-02-10T11:41:03,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp 2026-02-10T11:41:03,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p 2026-02-10T11:41:03,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p 2026-02-10T11:41:03,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp 2026-02-10T11:41:03,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp 2026-02-10T11:41:03,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly 2026-02-10T11:41:03,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly 2026-02-10T11:41:03,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp 2026-02-10T11:41:03,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp 2026-02-10T11:41:03,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp 2026-02-10T11:41:03,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp 2026-02-10T11:41:03,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol 2026-02-10T11:41:03,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol 2026-02-10T11:41:03,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p 2026-02-10T11:41:03,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p 2026-02-10T11:41:03,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p 2026-02-10T11:41:03,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p 2026-02-10T11:41:03,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap 2026-02-10T11:41:03,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap 2026-02-10T11:41:03,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp 2026-02-10T11:41:03,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp 2026-02-10T11:41:03,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp 2026-02-10T11:41:03,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp 2026-02-10T11:41:03,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3 2026-02-10T11:41:03,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3 2026-02-10T11:41:03,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o 2026-02-10T11:41:03,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o 2026-02-10T11:41:03,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6 2026-02-10T11:41:03,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6 2026-02-10T11:41:03,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:41:03,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:41:03,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p 2026-02-10T11:41:03,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p 2026-02-10T11:41:03,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p 2026-02-10T11:41:03,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p 2026-02-10T11:41:03,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p 2026-02-10T11:41:03,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p 2026-02-10T11:41:03,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8 2026-02-10T11:41:03,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8 2026-02-10T11:41:03,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys 2026-02-10T11:41:03,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys 2026-02-10T11:41:03,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s 2026-02-10T11:41:03,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s 2026-02-10T11:41:03,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p 2026-02-10T11:41:03,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p 2026-02-10T11:41:03,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C 2026-02-10T11:41:03,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C 2026-02-10T11:41:03,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:41:03,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:41:03,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass 2026-02-10T11:41:03,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass 2026-02-10T11:41:03,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2 2026-02-10T11:41:03,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2 2026-02-10T11:41:03,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T 2026-02-10T11:41:03,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T 2026-02-10T11:41:03,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp 2026-02-10T11:41:03,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp 2026-02-10T11:41:03,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op 2026-02-10T11:41:03,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op 2026-02-10T11:41:03,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp 2026-02-10T11:41:03,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp 2026-02-10T11:41:03,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6 2026-02-10T11:41:03,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6 2026-02-10T11:41:03,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p 2026-02-10T11:41:03,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p 2026-02-10T11:41:03,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p 2026-02-10T11:41:03,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p 2026-02-10T11:41:03,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl 2026-02-10T11:41:03,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl 2026-02-10T11:41:03,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp 2026-02-10T11:41:03,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp 2026-02-10T11:41:03,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2 2026-02-10T11:41:03,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2 2026-02-10T11:41:03,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2 2026-02-10T11:41:03,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2 2026-02-10T11:41:03,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2 2026-02-10T11:41:03,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2 2026-02-10T11:41:03,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4 2026-02-10T11:41:03,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4 2026-02-10T11:41:03,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2 2026-02-10T11:41:03,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2 2026-02-10T11:41:03,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2 2026-02-10T11:41:03,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2 2026-02-10T11:41:03,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6 2026-02-10T11:41:03,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6 2026-02-10T11:41:03,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1 2026-02-10T11:41:03,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1 2026-02-10T11:41:03,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene 2026-02-10T11:41:03,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene 2026-02-10T11:41:03,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:41:03,584 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 2026-02-10T11:41:03,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen 2026-02-10T11:41:03,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen 2026-02-10T11:41:03,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:41:03,592 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 2026-02-10T11:41:03,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:41:03,596 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 2026-02-10T11:41:03,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be 2026-02-10T11:41:03,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be 2026-02-10T11:41:03,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35 2026-02-10T11:41:03,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35 2026-02-10T11:41:03,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8 2026-02-10T11:41:03,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8 2026-02-10T11:41:03,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb 2026-02-10T11:41:03,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb 2026-02-10T11:41:03,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip 2026-02-10T11:41:03,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip 2026-02-10T11:41:03,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage 2026-02-10T11:41:03,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage 2026-02-10T11:41:03,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2 2026-02-10T11:41:03,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2 2026-02-10T11:41:03,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3 2026-02-10T11:41:03,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3 2026-02-10T11:41:03,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:41:03,628 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 2026-02-10T11:41:03,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl 2026-02-10T11:41:03,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl 2026-02-10T11:41:03,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne 2026-02-10T11:41:03,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne 2026-02-10T11:41:03,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35 2026-02-10T11:41:03,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35 2026-02-10T11:41:03,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6 2026-02-10T11:41:03,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6 2026-02-10T11:41:03,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36 2026-02-10T11:41:03,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36 2026-02-10T11:41:03,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4 2026-02-10T11:41:03,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4 2026-02-10T11:41:03,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36 2026-02-10T11:41:03,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36 2026-02-10T11:41:03,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen 2026-02-10T11:41:03,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen 2026-02-10T11:41:03,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL 2026-02-10T11:41:03,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL 2026-02-10T11:41:03,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:41:03,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:41:03,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:41:03,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:41:03,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99 2026-02-10T11:41:03,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99 2026-02-10T11:41:03,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215 2026-02-10T11:41:03,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215 2026-02-10T11:41:03,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:41:03,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:41:03,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357 2026-02-10T11:41:03,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357 2026-02-10T11:41:03,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470 2026-02-10T11:41:03,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470 2026-02-10T11:41:03,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:41:03,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:41:03,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b 2026-02-10T11:41:03,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b 2026-02-10T11:41:03,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224 2026-02-10T11:41:03,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224 2026-02-10T11:41:03,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:41:03,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:41:03,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114 2026-02-10T11:41:03,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114 2026-02-10T11:41:03,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691 2026-02-10T11:41:03,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691 2026-02-10T11:41:03,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300 2026-02-10T11:41:03,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300 2026-02-10T11:41:03,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:41:03,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:41:03,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366 2026-02-10T11:41:03,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366 2026-02-10T11:41:03,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:41:03,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:41:03,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:41:03,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:41:03,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444 2026-02-10T11:41:03,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444 2026-02-10T11:41:03,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412 2026-02-10T11:41:03,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412 2026-02-10T11:41:03,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:41:03,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:41:03,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:41:03,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:41:03,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:41:03,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:41:03,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:41:03,760 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 2026-02-10T11:41:03,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:41:03,764 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 2026-02-10T11:41:03,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:41:03,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:41:03,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:41:03,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:41:03,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:41:03,777 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 2026-02-10T11:41:03,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:41:03,781 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 2026-02-10T11:41:03,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI 2026-02-10T11:41:03,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI 2026-02-10T11:41:03,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:41:03,789 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 2026-02-10T11:41:03,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:41:03,793 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 2026-02-10T11:41:03,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe 2026-02-10T11:41:03,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe 2026-02-10T11:41:03,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:41:03,801 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 2026-02-10T11:41:03,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr 2026-02-10T11:41:03,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr 2026-02-10T11:41:03,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:41:03,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:41:03,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI 2026-02-10T11:41:03,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI 2026-02-10T11:41:03,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:41:03,818 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 2026-02-10T11:41:03,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:41:03,823 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 2026-02-10T11:41:03,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:41:03,826 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 2026-02-10T11:41:03,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:41:03,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:41:03,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:41:03,833 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 2026-02-10T11:41:03,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:41:03,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:41:03,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:41:03,840 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 2026-02-10T11:41:03,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:41:03,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:41:03,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:41:03,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:41:03,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:41:03,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:41:03,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:41:03,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:41:03,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:41:03,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:41:03,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:41:03,861 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 2026-02-10T11:41:03,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI 2026-02-10T11:41:03,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI 2026-02-10T11:41:03,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:41:03,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:41:03,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH 2026-02-10T11:41:03,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH 2026-02-10T11:41:03,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:41:03,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:41:03,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:41:03,877 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 2026-02-10T11:41:03,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:41:03,881 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 2026-02-10T11:41:03,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:41:03,885 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 2026-02-10T11:41:03,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:41:03,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:41:03,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:41:03,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:41:03,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2 2026-02-10T11:41:03,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2 2026-02-10T11:41:03,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:41:03,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:41:03,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:41:03,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:41:03,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:41:03,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:41:03,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3 2026-02-10T11:41:03,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3 2026-02-10T11:41:03,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:41:03,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:41:03,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:41:03,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:41:03,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:41:03,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:41:03,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:41:03,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:41:03,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH 2026-02-10T11:41:03,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH 2026-02-10T11:41:03,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:41:03,929 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 2026-02-10T11:41:03,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:41:03,933 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 2026-02-10T11:41:03,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:41:03,936 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 2026-02-10T11:41:03,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:41:03,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:41:03,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:41:03,943 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 2026-02-10T11:41:03,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:41:03,947 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 2026-02-10T11:41:03,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:41:03,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:41:03,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:41:03,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:41:03,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:41:03,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:41:03,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:41:03,961 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 2026-02-10T11:41:03,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:41:03,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:41:03,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:41:03,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:41:03,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:41:03,973 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 2026-02-10T11:41:03,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:41:03,977 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 2026-02-10T11:41:03,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:41:03,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:41:03,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH 2026-02-10T11:41:03,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH 2026-02-10T11:41:03,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl 2026-02-10T11:41:03,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl 2026-02-10T11:41:03,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:41:03,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:41:03,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:41:03,997 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 2026-02-10T11:41:03,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:41:04,001 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 2026-02-10T11:41:04,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS 2026-02-10T11:41:04,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS 2026-02-10T11:41:04,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:41:04,008 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 2026-02-10T11:41:04,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:41:04,011 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 2026-02-10T11:41:04,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:41:04,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:41:04,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:41:04,018 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 2026-02-10T11:41:04,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:41:04,022 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 2026-02-10T11:41:04,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:41:04,025 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 2026-02-10T11:41:04,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:41:04,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:41:04,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:41:04,032 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 2026-02-10T11:41:04,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:41:04,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:41:04,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:41:04,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:41:04,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:41:04,043 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 2026-02-10T11:41:04,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:41:04,046 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 2026-02-10T11:41:04,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:41:04,049 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 2026-02-10T11:41:04,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr 2026-02-10T11:41:04,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr 2026-02-10T11:41:04,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:41:04,056 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 2026-02-10T11:41:04,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:41:04,060 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 2026-02-10T11:41:04,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:41:04,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:41:04,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:41:04,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:41:04,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:41:04,070 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 2026-02-10T11:41:04,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:41:04,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:41:04,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:41:04,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:41:04,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:41:04,083 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 2026-02-10T11:41:04,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI 2026-02-10T11:41:04,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI 2026-02-10T11:41:04,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:41:04,093 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 2026-02-10T11:41:04,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:41:04,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:41:04,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr 2026-02-10T11:41:04,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr 2026-02-10T11:41:04,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:41:04,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:41:04,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:41:04,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:41:04,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr 2026-02-10T11:41:04,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr 2026-02-10T11:41:04,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:41:04,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:41:04,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:41:04,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:41:04,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3 2026-02-10T11:41:04,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3 2026-02-10T11:41:04,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:41:04,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:41:04,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS 2026-02-10T11:41:04,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS 2026-02-10T11:41:04,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:41:04,144 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 2026-02-10T11:41:04,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:41:04,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:41:04,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64 2026-02-10T11:41:04,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64 2026-02-10T11:41:04,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+ 2026-02-10T11:41:04,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+ 2026-02-10T11:41:04,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74 2026-02-10T11:41:04,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74 2026-02-10T11:41:04,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12 2026-02-10T11:41:04,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12 2026-02-10T11:41:04,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+ 2026-02-10T11:41:04,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+ 2026-02-10T11:41:04,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18 2026-02-10T11:41:04,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18 2026-02-10T11:41:04,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59 2026-02-10T11:41:04,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59 2026-02-10T11:41:04,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+ 2026-02-10T11:41:04,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+ 2026-02-10T11:41:04,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34 2026-02-10T11:41:04,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34 2026-02-10T11:41:04,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13 2026-02-10T11:41:04,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13 2026-02-10T11:41:04,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77 2026-02-10T11:41:04,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77 2026-02-10T11:41:04,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b 2026-02-10T11:41:04,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b 2026-02-10T11:41:04,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76 2026-02-10T11:41:04,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76 2026-02-10T11:41:04,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+ 2026-02-10T11:41:04,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+ 2026-02-10T11:41:04,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48 2026-02-10T11:41:04,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48 2026-02-10T11:41:04,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137 2026-02-10T11:41:04,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137 2026-02-10T11:41:04,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45 2026-02-10T11:41:04,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45 2026-02-10T11:41:04,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+ 2026-02-10T11:41:04,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+ 2026-02-10T11:41:04,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+ 2026-02-10T11:41:04,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+ 2026-02-10T11:41:04,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+ 2026-02-10T11:41:04,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+ 2026-02-10T11:41:04,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o 2026-02-10T11:41:04,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o 2026-02-10T11:41:04,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be 2026-02-10T11:41:04,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be 2026-02-10T11:41:04,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73 2026-02-10T11:41:04,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73 2026-02-10T11:41:04,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20 2026-02-10T11:41:04,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20 2026-02-10T11:41:04,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+ 2026-02-10T11:41:04,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+ 2026-02-10T11:41:04,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+ 2026-02-10T11:41:04,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+ 2026-02-10T11:41:04,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na 2026-02-10T11:41:04,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na 2026-02-10T11:41:04,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+ 2026-02-10T11:41:04,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+ 2026-02-10T11:41:04,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80 2026-02-10T11:41:04,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80 2026-02-10T11:41:04,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75 2026-02-10T11:41:04,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75 2026-02-10T11:41:04,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70 2026-02-10T11:41:04,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70 2026-02-10T11:41:04,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66 2026-02-10T11:41:04,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66 2026-02-10T11:41:04,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si 2026-02-10T11:41:04,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si 2026-02-10T11:41:04,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n 2026-02-10T11:41:04,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n 2026-02-10T11:41:04,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h 2026-02-10T11:41:04,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h 2026-02-10T11:41:04,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65 2026-02-10T11:41:04,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65 2026-02-10T11:41:04,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li 2026-02-10T11:41:04,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li 2026-02-10T11:41:04,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44 2026-02-10T11:41:04,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44 2026-02-10T11:41:04,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25 2026-02-10T11:41:04,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25 2026-02-10T11:41:04,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30 2026-02-10T11:41:04,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30 2026-02-10T11:41:04,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s 2026-02-10T11:41:04,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s 2026-02-10T11:41:04,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68 2026-02-10T11:41:04,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68 2026-02-10T11:41:04,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg 2026-02-10T11:41:04,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg 2026-02-10T11:41:04,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67 2026-02-10T11:41:04,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67 2026-02-10T11:41:04,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78 2026-02-10T11:41:04,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78 2026-02-10T11:41:04,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43 2026-02-10T11:41:04,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43 2026-02-10T11:41:04,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37 2026-02-10T11:41:04,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37 2026-02-10T11:41:04,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22 2026-02-10T11:41:04,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22 2026-02-10T11:41:04,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p 2026-02-10T11:41:04,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p 2026-02-10T11:41:04,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26 2026-02-10T11:41:04,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26 2026-02-10T11:41:04,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+ 2026-02-10T11:41:04,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+ 2026-02-10T11:41:04,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72 2026-02-10T11:41:04,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72 2026-02-10T11:41:04,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f 2026-02-10T11:41:04,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f 2026-02-10T11:41:04,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+ 2026-02-10T11:41:04,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+ 2026-02-10T11:41:04,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60 2026-02-10T11:41:04,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60 2026-02-10T11:41:04,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl 2026-02-10T11:41:04,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl 2026-02-10T11:41:04,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65 2026-02-10T11:41:04,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65 2026-02-10T11:41:04,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51 2026-02-10T11:41:04,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51 2026-02-10T11:41:04,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71 2026-02-10T11:41:04,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71 2026-02-10T11:41:04,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11 2026-02-10T11:41:04,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11 2026-02-10T11:41:04,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61 2026-02-10T11:41:04,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61 2026-02-10T11:41:04,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+ 2026-02-10T11:41:04,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+ 2026-02-10T11:41:04,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c 2026-02-10T11:41:04,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c 2026-02-10T11:41:04,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+ 2026-02-10T11:41:04,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+ 2026-02-10T11:41:04,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14 2026-02-10T11:41:04,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14 2026-02-10T11:41:04,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al 2026-02-10T11:41:04,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al 2026-02-10T11:41:04,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19 2026-02-10T11:41:04,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19 2026-02-10T11:41:04,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62 2026-02-10T11:41:04,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62 2026-02-10T11:41:04,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8 2026-02-10T11:41:04,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8 2026-02-10T11:41:04,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79 2026-02-10T11:41:04,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79 2026-02-10T11:41:04,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63 2026-02-10T11:41:04,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63 2026-02-10T11:41:04,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25 2026-02-10T11:41:04,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25 2026-02-10T11:41:04,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24 2026-02-10T11:41:04,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24 2026-02-10T11:41:04,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23 2026-02-10T11:41:04,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23 2026-02-10T11:41:04,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19 2026-02-10T11:41:04,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19 2026-02-10T11:41:04,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21 2026-02-10T11:41:04,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21 2026-02-10T11:41:04,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26 2026-02-10T11:41:04,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26 2026-02-10T11:41:04,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9 2026-02-10T11:41:04,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9 2026-02-10T11:41:04,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3 2026-02-10T11:41:04,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3 2026-02-10T11:41:04,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4 2026-02-10T11:41:04,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4 2026-02-10T11:41:04,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20 2026-02-10T11:41:04,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20 2026-02-10T11:41:04,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27 2026-02-10T11:41:04,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27 2026-02-10T11:41:04,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6 2026-02-10T11:41:04,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6 2026-02-10T11:41:04,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26 2026-02-10T11:41:04,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26 2026-02-10T11:41:04,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30 2026-02-10T11:41:04,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30 2026-02-10T11:41:04,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10 2026-02-10T11:41:04,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10 2026-02-10T11:41:04,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20 2026-02-10T11:41:04,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20 2026-02-10T11:41:04,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11 2026-02-10T11:41:04,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11 2026-02-10T11:41:04,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7 2026-02-10T11:41:04,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7 2026-02-10T11:41:04,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34 2026-02-10T11:41:04,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34 2026-02-10T11:41:04,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7 2026-02-10T11:41:04,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7 2026-02-10T11:41:04,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32 2026-02-10T11:41:04,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32 2026-02-10T11:41:04,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30 2026-02-10T11:41:04,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30 2026-02-10T11:41:04,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1 2026-02-10T11:41:04,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1 2026-02-10T11:41:04,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12 2026-02-10T11:41:04,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12 2026-02-10T11:41:04,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4 2026-02-10T11:41:04,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4 2026-02-10T11:41:04,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15 2026-02-10T11:41:04,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15 2026-02-10T11:41:04,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15 2026-02-10T11:41:04,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15 2026-02-10T11:41:04,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2 2026-02-10T11:41:04,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2 2026-02-10T11:41:04,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22 2026-02-10T11:41:04,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22 2026-02-10T11:41:04,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23 2026-02-10T11:41:04,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23 2026-02-10T11:41:04,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24 2026-02-10T11:41:04,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24 2026-02-10T11:41:04,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16 2026-02-10T11:41:04,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16 2026-02-10T11:41:04,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34 2026-02-10T11:41:04,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34 2026-02-10T11:41:04,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10 2026-02-10T11:41:04,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10 2026-02-10T11:41:04,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17 2026-02-10T11:41:04,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17 2026-02-10T11:41:04,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17 2026-02-10T11:41:04,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17 2026-02-10T11:41:04,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3 2026-02-10T11:41:04,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3 2026-02-10T11:41:04,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21 2026-02-10T11:41:04,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21 2026-02-10T11:41:04,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27 2026-02-10T11:41:04,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27 2026-02-10T11:41:04,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13 2026-02-10T11:41:04,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13 2026-02-10T11:41:04,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5 2026-02-10T11:41:04,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5 2026-02-10T11:41:04,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31 2026-02-10T11:41:04,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31 2026-02-10T11:41:04,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8 2026-02-10T11:41:04,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8 2026-02-10T11:41:04,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29 2026-02-10T11:41:04,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29 2026-02-10T11:41:04,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1 2026-02-10T11:41:04,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1 2026-02-10T11:41:04,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14 2026-02-10T11:41:04,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14 2026-02-10T11:41:04,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33 2026-02-10T11:41:04,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33 2026-02-10T11:41:04,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31 2026-02-10T11:41:04,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31 2026-02-10T11:41:04,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33 2026-02-10T11:41:04,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33 2026-02-10T11:41:04,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16 2026-02-10T11:41:04,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16 2026-02-10T11:41:04,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9 2026-02-10T11:41:04,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9 2026-02-10T11:41:04,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11 2026-02-10T11:41:04,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11 2026-02-10T11:41:04,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14 2026-02-10T11:41:04,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14 2026-02-10T11:41:04,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12 2026-02-10T11:41:04,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12 2026-02-10T11:41:04,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8 2026-02-10T11:41:04,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8 2026-02-10T11:41:04,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29 2026-02-10T11:41:04,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29 2026-02-10T11:41:04,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25 2026-02-10T11:41:04,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25 2026-02-10T11:41:04,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13 2026-02-10T11:41:04,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13 2026-02-10T11:41:04,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28 2026-02-10T11:41:04,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28 2026-02-10T11:41:04,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18 2026-02-10T11:41:04,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18 2026-02-10T11:41:04,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18 2026-02-10T11:41:04,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18 2026-02-10T11:41:04,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32 2026-02-10T11:41:04,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32 2026-02-10T11:41:04,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28 2026-02-10T11:41:04,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28 2026-02-10T11:41:04,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2 2026-02-10T11:41:04,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2 2026-02-10T11:41:04,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3 2026-02-10T11:41:04,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3 2026-02-10T11:41:04,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4 2026-02-10T11:41:04,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4 2026-02-10T11:41:04,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2 2026-02-10T11:41:04,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2 2026-02-10T11:41:04,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6 2026-02-10T11:41:04,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6 2026-02-10T11:41:04,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7 2026-02-10T11:41:04,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7 2026-02-10T11:41:04,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5 2026-02-10T11:41:04,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5 2026-02-10T11:41:04,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6 2026-02-10T11:41:04,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6 2026-02-10T11:41:04,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5 2026-02-10T11:41:04,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5 2026-02-10T11:41:04,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3 2026-02-10T11:41:04,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3 2026-02-10T11:41:04,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4 2026-02-10T11:41:04,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4 2026-02-10T11:41:04,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7 2026-02-10T11:41:04,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7 2026-02-10T11:41:04,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:41:04,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:41:04,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:41:04,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:41:04,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:41:04,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:41:04,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:41:04,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:41:04,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:41:04,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:41:04,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:41:04,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:41:04,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:41:04,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:41:04,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:41:04,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:41:04,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:41:04,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:41:04,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:41:04,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:41:04,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:41:04,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:41:04,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:41:04,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:41:04,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:41:04,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:41:04,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:41:04,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:41:04,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:41:04,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:41:04,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:41:04,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:41:04,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:41:04,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:41:04,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:41:04,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:41:04,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:41:04,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:41:04,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:41:04,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:41:04,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:41:04,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:41:04,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:41:04,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:41:04,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:41:04,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:41:04,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:41:04,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:41:04,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:41:04,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:41:04,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:41:04,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:41:04,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:41:04,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:41:04,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:41:04,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:41:04,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:41:04,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:41:05,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:41:05,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:41:05,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:41:05,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:41:05,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:41:05,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:41:05,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:41:05,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:41:05,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:41:05,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:41:05,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:41:05,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:41:05,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:41:05,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:41:05,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:41:05,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:41:05,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:41:05,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:41:05,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:41:05,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:41:05,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:41:05,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:41:05,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:41:05,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:41:05,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:41:05,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:41:05,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:41:05,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:41:05,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:41:05,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:41:05,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:41:05,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:41:05,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:41:05,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:41:05,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:41:05,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:41:05,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:41:05,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:41:05,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:41:05,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:41:05,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:41:05,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:41:05,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:41:05,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:41:05,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:41:05,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:41:05,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:41:05,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:41:05,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:41:05,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:41:05,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:41:05,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:41:05,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:41:05,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:41:05,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:41:05,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:41:05,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:41:05,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:41:05,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:41:05,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:41:05,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:41:05,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:41:05,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:41:05,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:41:05,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:41:05,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:41:05,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:41:05,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:41:05,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:41:05,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:41:05,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:41:05,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:41:05,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:41:05,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:41:05,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:41:05,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:41:05,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:41:05,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:41:05,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:41:05,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:41:05,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:41:05,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:41:05,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:41:05,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:41:05,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:41:05,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:41:05,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:41:05,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:41:05,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:41:05,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:41:05,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:41:05,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:41:05,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:41:05,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:41:05,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:41:05,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:41:05,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:41:05,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:41:05,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:41:05,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:41:05,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:41:05,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:41:05,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:41:05,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:41:05,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:41:05,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:41:05,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:41:05,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:41:05,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:41:05,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:41:05,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:41:05,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:41:05,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:41:05,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:41:05,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:41:05,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:41:05,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:41:05,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:41:05,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:41:05,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:41:05,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:41:05,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:41:05,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:41:05,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:41:05,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:41:05,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:41:05,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:41:05,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:41:05,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:41:05,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:41:05,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:41:05,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:41:05,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:41:05,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:41:05,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:41:05,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:41:05,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:41:05,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:41:05,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:41:05,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:41:05,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:41:05,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:41:05,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3 2026-02-10T11:41:05,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3 2026-02-10T11:41:05,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4 2026-02-10T11:41:05,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4 2026-02-10T11:41:05,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:41:05,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:41:05,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6 2026-02-10T11:41:05,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6 2026-02-10T11:41:05,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3 2026-02-10T11:41:05,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3 2026-02-10T11:41:05,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6 2026-02-10T11:41:05,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6 2026-02-10T11:41:05,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3 2026-02-10T11:41:05,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3 2026-02-10T11:41:05,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5 2026-02-10T11:41:05,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5 2026-02-10T11:41:05,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6 2026-02-10T11:41:05,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6 2026-02-10T11:41:05,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2 2026-02-10T11:41:05,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2 2026-02-10T11:41:05,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3 2026-02-10T11:41:05,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3 2026-02-10T11:41:05,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2 2026-02-10T11:41:05,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2 2026-02-10T11:41:05,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr 2026-02-10T11:41:05,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr 2026-02-10T11:41:05,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr 2026-02-10T11:41:05,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr 2026-02-10T11:41:05,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2 2026-02-10T11:41:05,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2 2026-02-10T11:41:05,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe 2026-02-10T11:41:05,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe 2026-02-10T11:41:05,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3 2026-02-10T11:41:05,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3 2026-02-10T11:41:05,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2 2026-02-10T11:41:05,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2 2026-02-10T11:41:05,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:41:05,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:41:05,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6 2026-02-10T11:41:05,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6 2026-02-10T11:41:05,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe 2026-02-10T11:41:05,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe 2026-02-10T11:41:05,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3 2026-02-10T11:41:05,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3 2026-02-10T11:41:05,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf 2026-02-10T11:41:05,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf 2026-02-10T11:41:05,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6 2026-02-10T11:41:05,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6 2026-02-10T11:41:05,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr 2026-02-10T11:41:05,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr 2026-02-10T11:41:05,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr 2026-02-10T11:41:05,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr 2026-02-10T11:41:05,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne 2026-02-10T11:41:05,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne 2026-02-10T11:41:05,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:41:05,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:41:05,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3 2026-02-10T11:41:05,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3 2026-02-10T11:41:05,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz 2026-02-10T11:41:05,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz 2026-02-10T11:41:05,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4 2026-02-10T11:41:05,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4 2026-02-10T11:41:05,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar 2026-02-10T11:41:05,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar 2026-02-10T11:41:05,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:41:05,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:41:05,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2 2026-02-10T11:41:05,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2 2026-02-10T11:41:05,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4 2026-02-10T11:41:05,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4 2026-02-10T11:41:05,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:41:05,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:41:05,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1 2026-02-10T11:41:05,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1 2026-02-10T11:41:05,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:41:05,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:41:05,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2 2026-02-10T11:41:05,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2 2026-02-10T11:41:05,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:41:05,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:41:05,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:41:05,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:41:05,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8 2026-02-10T11:41:05,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8 2026-02-10T11:41:05,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9 2026-02-10T11:41:05,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9 2026-02-10T11:41:05,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1 2026-02-10T11:41:05,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1 2026-02-10T11:41:05,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2 2026-02-10T11:41:05,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2 2026-02-10T11:41:05,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:41:05,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:41:05,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7 2026-02-10T11:41:05,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7 2026-02-10T11:41:05,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5 2026-02-10T11:41:05,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5 2026-02-10T11:41:05,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:41:05,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:41:05,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5 2026-02-10T11:41:05,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5 2026-02-10T11:41:05,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4 2026-02-10T11:41:05,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4 2026-02-10T11:41:05,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o 2026-02-10T11:41:05,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o 2026-02-10T11:41:05,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:41:05,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:41:05,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9 2026-02-10T11:41:05,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9 2026-02-10T11:41:05,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3 2026-02-10T11:41:05,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3 2026-02-10T11:41:05,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3 2026-02-10T11:41:05,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3 2026-02-10T11:41:05,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:41:05,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:41:05,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4 2026-02-10T11:41:05,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4 2026-02-10T11:41:05,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:41:05,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:41:05,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8 2026-02-10T11:41:05,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8 2026-02-10T11:41:05,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6 2026-02-10T11:41:05,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6 2026-02-10T11:41:05,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7 2026-02-10T11:41:05,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7 2026-02-10T11:41:05,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6 2026-02-10T11:41:05,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6 2026-02-10T11:41:05,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:41:05,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:41:05,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1 2026-02-10T11:41:05,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1 2026-02-10T11:41:05,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A 2026-02-10T11:41:05,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A 2026-02-10T11:41:05,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B 2026-02-10T11:41:05,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B 2026-02-10T11:41:05,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A 2026-02-10T11:41:05,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A 2026-02-10T11:41:05,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B 2026-02-10T11:41:05,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B 2026-02-10T11:41:05,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B 2026-02-10T11:41:05,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B 2026-02-10T11:41:05,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4 2026-02-10T11:41:05,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4 2026-02-10T11:41:05,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A 2026-02-10T11:41:05,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A 2026-02-10T11:41:05,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A 2026-02-10T11:41:05,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A 2026-02-10T11:41:05,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12 2026-02-10T11:41:05,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12 2026-02-10T11:41:05,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A 2026-02-10T11:41:05,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A 2026-02-10T11:41:05,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18 2026-02-10T11:41:05,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18 2026-02-10T11:41:05,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A 2026-02-10T11:41:05,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A 2026-02-10T11:41:05,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13 2026-02-10T11:41:05,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13 2026-02-10T11:41:05,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A 2026-02-10T11:41:05,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A 2026-02-10T11:41:05,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B 2026-02-10T11:41:05,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B 2026-02-10T11:41:05,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A 2026-02-10T11:41:05,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A 2026-02-10T11:41:05,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A 2026-02-10T11:41:05,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A 2026-02-10T11:41:05,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B 2026-02-10T11:41:05,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B 2026-02-10T11:41:05,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A 2026-02-10T11:41:05,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A 2026-02-10T11:41:05,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A 2026-02-10T11:41:05,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A 2026-02-10T11:41:05,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20 2026-02-10T11:41:05,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20 2026-02-10T11:41:05,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3 2026-02-10T11:41:05,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3 2026-02-10T11:41:05,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A 2026-02-10T11:41:05,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A 2026-02-10T11:41:05,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B 2026-02-10T11:41:05,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B 2026-02-10T11:41:05,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A 2026-02-10T11:41:05,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A 2026-02-10T11:41:05,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B 2026-02-10T11:41:05,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B 2026-02-10T11:41:05,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A 2026-02-10T11:41:05,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A 2026-02-10T11:41:05,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B 2026-02-10T11:41:05,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B 2026-02-10T11:41:05,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16 2026-02-10T11:41:05,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16 2026-02-10T11:41:05,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B 2026-02-10T11:41:05,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B 2026-02-10T11:41:05,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B 2026-02-10T11:41:05,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B 2026-02-10T11:41:05,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A 2026-02-10T11:41:05,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A 2026-02-10T11:41:05,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B 2026-02-10T11:41:05,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B 2026-02-10T11:41:05,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A 2026-02-10T11:41:05,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A 2026-02-10T11:41:05,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B 2026-02-10T11:41:05,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B 2026-02-10T11:41:05,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B 2026-02-10T11:41:05,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B 2026-02-10T11:41:05,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9 2026-02-10T11:41:05,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9 2026-02-10T11:41:05,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A 2026-02-10T11:41:05,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A 2026-02-10T11:41:05,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A 2026-02-10T11:41:05,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A 2026-02-10T11:41:05,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A 2026-02-10T11:41:05,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A 2026-02-10T11:41:05,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7 2026-02-10T11:41:05,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7 2026-02-10T11:41:05,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10 2026-02-10T11:41:05,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10 2026-02-10T11:41:05,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B 2026-02-10T11:41:05,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B 2026-02-10T11:41:05,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6 2026-02-10T11:41:05,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6 2026-02-10T11:41:05,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B 2026-02-10T11:41:05,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B 2026-02-10T11:41:05,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A 2026-02-10T11:41:05,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A 2026-02-10T11:41:05,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A 2026-02-10T11:41:05,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A 2026-02-10T11:41:05,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B 2026-02-10T11:41:05,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B 2026-02-10T11:41:05,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B 2026-02-10T11:41:05,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B 2026-02-10T11:41:05,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B 2026-02-10T11:41:05,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B 2026-02-10T11:41:05,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11 2026-02-10T11:41:05,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11 2026-02-10T11:41:05,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B 2026-02-10T11:41:05,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B 2026-02-10T11:41:05,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5 2026-02-10T11:41:05,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5 2026-02-10T11:41:05,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15 2026-02-10T11:41:05,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15 2026-02-10T11:41:05,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B 2026-02-10T11:41:05,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B 2026-02-10T11:41:05,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17 2026-02-10T11:41:05,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17 2026-02-10T11:41:05,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21 2026-02-10T11:41:05,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21 2026-02-10T11:41:05,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B 2026-02-10T11:41:05,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B 2026-02-10T11:41:05,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2 2026-02-10T11:41:05,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2 2026-02-10T11:41:05,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14 2026-02-10T11:41:05,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14 2026-02-10T11:41:05,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19 2026-02-10T11:41:05,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19 2026-02-10T11:41:05,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8 2026-02-10T11:41:05,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8 2026-02-10T11:41:05,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts 2026-02-10T11:41:05,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts 2026-02-10T11:41:05,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1 2026-02-10T11:41:05,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1 2026-02-10T11:41:05,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6 2026-02-10T11:41:05,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6 2026-02-10T11:41:05,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:41:05,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:41:05,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts 2026-02-10T11:41:05,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts 2026-02-10T11:41:05,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6 2026-02-10T11:41:05,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6 2026-02-10T11:41:05,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r 2026-02-10T11:41:05,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r 2026-02-10T11:41:05,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:41:05,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:41:05,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:41:05,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:41:05,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:41:05,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:41:05,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:41:05,862 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 2026-02-10T11:41:05,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7 2026-02-10T11:41:05,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7 2026-02-10T11:41:05,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:41:05,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:41:05,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r 2026-02-10T11:41:05,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r 2026-02-10T11:41:05,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5 2026-02-10T11:41:05,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5 2026-02-10T11:41:05,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r 2026-02-10T11:41:05,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r 2026-02-10T11:41:05,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3 2026-02-10T11:41:05,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3 2026-02-10T11:41:05,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:41:05,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:41:05,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:41:05,897 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 2026-02-10T11:41:05,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:41:05,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:41:05,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts 2026-02-10T11:41:05,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts 2026-02-10T11:41:05,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:41:05,907 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 2026-02-10T11:41:05,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts 2026-02-10T11:41:05,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts 2026-02-10T11:41:05,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5 2026-02-10T11:41:05,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5 2026-02-10T11:41:05,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2 2026-02-10T11:41:05,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2 2026-02-10T11:41:05,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:41:05,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:41:05,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3 2026-02-10T11:41:05,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3 2026-02-10T11:41:05,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11 2026-02-10T11:41:05,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11 2026-02-10T11:41:05,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:41:05,945 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 2026-02-10T11:41:05,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts 2026-02-10T11:41:05,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts 2026-02-10T11:41:05,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts 2026-02-10T11:41:05,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts 2026-02-10T11:41:05,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:41:05,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:41:05,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:41:05,959 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 2026-02-10T11:41:05,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:41:05,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:41:05,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts 2026-02-10T11:41:05,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts 2026-02-10T11:41:05,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r 2026-02-10T11:41:05,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r 2026-02-10T11:41:05,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:41:05,974 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 2026-02-10T11:41:05,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r 2026-02-10T11:41:05,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r 2026-02-10T11:41:05,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:41:05,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:41:05,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts 2026-02-10T11:41:05,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts 2026-02-10T11:41:05,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4 2026-02-10T11:41:05,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4 2026-02-10T11:41:05,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8 2026-02-10T11:41:05,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8 2026-02-10T11:41:05,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:41:05,997 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 2026-02-10T11:41:06,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:41:06,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:41:06,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4 2026-02-10T11:41:06,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4 2026-02-10T11:41:06,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9 2026-02-10T11:41:06,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9 2026-02-10T11:41:06,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r 2026-02-10T11:41:06,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r 2026-02-10T11:41:06,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:41:06,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:41:06,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts 2026-02-10T11:41:06,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts 2026-02-10T11:41:06,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7 2026-02-10T11:41:06,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7 2026-02-10T11:41:06,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:41:06,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:41:06,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8 2026-02-10T11:41:06,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8 2026-02-10T11:41:06,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:41:06,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:41:06,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10 2026-02-10T11:41:06,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10 2026-02-10T11:41:06,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:41:06,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:41:06,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r 2026-02-10T11:41:06,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r 2026-02-10T11:41:06,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r 2026-02-10T11:41:06,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r 2026-02-10T11:41:06,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9 2026-02-10T11:41:06,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9 2026-02-10T11:41:06,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:41:06,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:41:06,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1 2026-02-10T11:41:06,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1 2026-02-10T11:41:06,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2 2026-02-10T11:41:06,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2 2026-02-10T11:41:06,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13 2026-02-10T11:41:06,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13 2026-02-10T11:41:06,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15 2026-02-10T11:41:06,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15 2026-02-10T11:41:06,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8 2026-02-10T11:41:06,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8 2026-02-10T11:41:06,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2 2026-02-10T11:41:06,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2 2026-02-10T11:41:06,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1 2026-02-10T11:41:06,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1 2026-02-10T11:41:06,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11 2026-02-10T11:41:06,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11 2026-02-10T11:41:06,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4 2026-02-10T11:41:06,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4 2026-02-10T11:41:06,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7 2026-02-10T11:41:06,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7 2026-02-10T11:41:06,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3 2026-02-10T11:41:06,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3 2026-02-10T11:41:06,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12 2026-02-10T11:41:06,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12 2026-02-10T11:41:06,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4 2026-02-10T11:41:06,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4 2026-02-10T11:41:06,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5 2026-02-10T11:41:06,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5 2026-02-10T11:41:06,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6 2026-02-10T11:41:06,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6 2026-02-10T11:41:06,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1 2026-02-10T11:41:06,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1 2026-02-10T11:41:06,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10 2026-02-10T11:41:06,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10 2026-02-10T11:41:06,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3 2026-02-10T11:41:06,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3 2026-02-10T11:41:06,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14 2026-02-10T11:41:06,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14 2026-02-10T11:41:06,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2 2026-02-10T11:41:06,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2 2026-02-10T11:41:06,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9 2026-02-10T11:41:06,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9 2026-02-10T11:41:06,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1 2026-02-10T11:41:06,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1 2026-02-10T11:41:06,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36 2026-02-10T11:41:06,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36 2026-02-10T11:41:06,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4 2026-02-10T11:41:06,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4 2026-02-10T11:41:06,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12 2026-02-10T11:41:06,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12 2026-02-10T11:41:06,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27 2026-02-10T11:41:06,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27 2026-02-10T11:41:06,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18 2026-02-10T11:41:06,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18 2026-02-10T11:41:06,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34 2026-02-10T11:41:06,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34 2026-02-10T11:41:06,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13 2026-02-10T11:41:06,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13 2026-02-10T11:41:06,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48 2026-02-10T11:41:06,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48 2026-02-10T11:41:06,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45 2026-02-10T11:41:06,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45 2026-02-10T11:41:06,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46 2026-02-10T11:41:06,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46 2026-02-10T11:41:06,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38 2026-02-10T11:41:06,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38 2026-02-10T11:41:06,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49 2026-02-10T11:41:06,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49 2026-02-10T11:41:06,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20 2026-02-10T11:41:06,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20 2026-02-10T11:41:06,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3 2026-02-10T11:41:06,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3 2026-02-10T11:41:06,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41 2026-02-10T11:41:06,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41 2026-02-10T11:41:06,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16 2026-02-10T11:41:06,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16 2026-02-10T11:41:06,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44 2026-02-10T11:41:06,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44 2026-02-10T11:41:06,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25 2026-02-10T11:41:06,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25 2026-02-10T11:41:06,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30 2026-02-10T11:41:06,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30 2026-02-10T11:41:06,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9 2026-02-10T11:41:06,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9 2026-02-10T11:41:06,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43 2026-02-10T11:41:06,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43 2026-02-10T11:41:06,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37 2026-02-10T11:41:06,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37 2026-02-10T11:41:06,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22 2026-02-10T11:41:06,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22 2026-02-10T11:41:06,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7 2026-02-10T11:41:06,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7 2026-02-10T11:41:06,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23 2026-02-10T11:41:06,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23 2026-02-10T11:41:06,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10 2026-02-10T11:41:06,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10 2026-02-10T11:41:06,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47 2026-02-10T11:41:06,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47 2026-02-10T11:41:06,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28 2026-02-10T11:41:06,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28 2026-02-10T11:41:06,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26 2026-02-10T11:41:06,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26 2026-02-10T11:41:06,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6 2026-02-10T11:41:06,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6 2026-02-10T11:41:06,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40 2026-02-10T11:41:06,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40 2026-02-10T11:41:06,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50 2026-02-10T11:41:06,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50 2026-02-10T11:41:06,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51 2026-02-10T11:41:06,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51 2026-02-10T11:41:06,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11 2026-02-10T11:41:06,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11 2026-02-10T11:41:06,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32 2026-02-10T11:41:06,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32 2026-02-10T11:41:06,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5 2026-02-10T11:41:06,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5 2026-02-10T11:41:06,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24 2026-02-10T11:41:06,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24 2026-02-10T11:41:06,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15 2026-02-10T11:41:06,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15 2026-02-10T11:41:06,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17 2026-02-10T11:41:06,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17 2026-02-10T11:41:06,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21 2026-02-10T11:41:06,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21 2026-02-10T11:41:06,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52 2026-02-10T11:41:06,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52 2026-02-10T11:41:06,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42 2026-02-10T11:41:06,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42 2026-02-10T11:41:06,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2 2026-02-10T11:41:06,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2 2026-02-10T11:41:06,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39 2026-02-10T11:41:06,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39 2026-02-10T11:41:06,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35 2026-02-10T11:41:06,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35 2026-02-10T11:41:06,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14 2026-02-10T11:41:06,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14 2026-02-10T11:41:06,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19 2026-02-10T11:41:06,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19 2026-02-10T11:41:06,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33 2026-02-10T11:41:06,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33 2026-02-10T11:41:06,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29 2026-02-10T11:41:06,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29 2026-02-10T11:41:06,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8 2026-02-10T11:41:06,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8 2026-02-10T11:41:06,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31 2026-02-10T11:41:06,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31 2026-02-10T11:41:06,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A 2026-02-10T11:41:06,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A 2026-02-10T11:41:06,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A 2026-02-10T11:41:06,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A 2026-02-10T11:41:06,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27 2026-02-10T11:41:06,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27 2026-02-10T11:41:06,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B 2026-02-10T11:41:06,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B 2026-02-10T11:41:06,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A 2026-02-10T11:41:06,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A 2026-02-10T11:41:06,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B 2026-02-10T11:41:06,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B 2026-02-10T11:41:06,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A 2026-02-10T11:41:06,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A 2026-02-10T11:41:06,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25 2026-02-10T11:41:06,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25 2026-02-10T11:41:06,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22 2026-02-10T11:41:06,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22 2026-02-10T11:41:06,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23 2026-02-10T11:41:06,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23 2026-02-10T11:41:06,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A 2026-02-10T11:41:06,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A 2026-02-10T11:41:06,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A 2026-02-10T11:41:06,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A 2026-02-10T11:41:06,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B 2026-02-10T11:41:06,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B 2026-02-10T11:41:06,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26 2026-02-10T11:41:06,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26 2026-02-10T11:41:06,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B 2026-02-10T11:41:06,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B 2026-02-10T11:41:06,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24 2026-02-10T11:41:06,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24 2026-02-10T11:41:06,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B 2026-02-10T11:41:06,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B 2026-02-10T11:41:06,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B 2026-02-10T11:41:06,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B 2026-02-10T11:41:06,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me 2026-02-10T11:41:06,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me 2026-02-10T11:41:06,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+ 2026-02-10T11:41:06,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+ 2026-02-10T11:41:06,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8 2026-02-10T11:41:06,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8 2026-02-10T11:41:06,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+ 2026-02-10T11:41:06,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+ 2026-02-10T11:41:06,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch 2026-02-10T11:41:06,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch 2026-02-10T11:41:06,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:41:06,397 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 2026-02-10T11:41:06,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c 2026-02-10T11:41:06,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c 2026-02-10T11:41:06,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:41:06,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:41:06,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:41:06,407 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 2026-02-10T11:41:06,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me 2026-02-10T11:41:06,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me 2026-02-10T11:41:06,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h 2026-02-10T11:41:06,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h 2026-02-10T11:41:06,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2 2026-02-10T11:41:06,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2 2026-02-10T11:41:06,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4 2026-02-10T11:41:06,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4 2026-02-10T11:41:06,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2 2026-02-10T11:41:06,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2 2026-02-10T11:41:06,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2 2026-02-10T11:41:06,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2 2026-02-10T11:41:06,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8 2026-02-10T11:41:06,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8 2026-02-10T11:41:06,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:41:06,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:41:06,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1 2026-02-10T11:41:06,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1 2026-02-10T11:41:06,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4 2026-02-10T11:41:06,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4 2026-02-10T11:41:06,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3 2026-02-10T11:41:06,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3 2026-02-10T11:41:06,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9 2026-02-10T11:41:06,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9 2026-02-10T11:41:06,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7 2026-02-10T11:41:06,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7 2026-02-10T11:41:06,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10 2026-02-10T11:41:06,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10 2026-02-10T11:41:06,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6 2026-02-10T11:41:06,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6 2026-02-10T11:41:06,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5 2026-02-10T11:41:06,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5 2026-02-10T11:41:06,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2 2026-02-10T11:41:06,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2 2026-02-10T11:41:06,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8 2026-02-10T11:41:06,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8 2026-02-10T11:41:06,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts 2026-02-10T11:41:06,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts 2026-02-10T11:41:06,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20 2026-02-10T11:41:06,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20 2026-02-10T11:41:06,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8 2026-02-10T11:41:06,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8 2026-02-10T11:41:06,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh 2026-02-10T11:41:06,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh 2026-02-10T11:41:06,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc 2026-02-10T11:41:06,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc 2026-02-10T11:41:06,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh- 2026-02-10T11:41:06,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh- 2026-02-10T11:41:06,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19 2026-02-10T11:41:06,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19 2026-02-10T11:41:06,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts 2026-02-10T11:41:06,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts 2026-02-10T11:41:06,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:41:06,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:41:06,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf 2026-02-10T11:41:06,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf 2026-02-10T11:41:06,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co 2026-02-10T11:41:06,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co 2026-02-10T11:41:06,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots 2026-02-10T11:41:06,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots 2026-02-10T11:41:06,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:41:06,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:41:06,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07 2026-02-10T11:41:06,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07 2026-02-10T11:41:06,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts 2026-02-10T11:41:06,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts 2026-02-10T11:41:06,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2 2026-02-10T11:41:06,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2 2026-02-10T11:41:06,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:41:06,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:41:06,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4 2026-02-10T11:41:06,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4 2026-02-10T11:41:06,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f- 2026-02-10T11:41:06,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f- 2026-02-10T11:41:06,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O 2026-02-10T11:41:06,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O 2026-02-10T11:41:06,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2 2026-02-10T11:41:06,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2 2026-02-10T11:41:06,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2 2026-02-10T11:41:06,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2 2026-02-10T11:41:06,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3 2026-02-10T11:41:06,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3 2026-02-10T11:41:06,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17 2026-02-10T11:41:06,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17 2026-02-10T11:41:06,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22 2026-02-10T11:41:06,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22 2026-02-10T11:41:06,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14 2026-02-10T11:41:06,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14 2026-02-10T11:41:06,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13 2026-02-10T11:41:06,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13 2026-02-10T11:41:06,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H 2026-02-10T11:41:06,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H 2026-02-10T11:41:06,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:41:06,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:41:06,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS 2026-02-10T11:41:06,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS 2026-02-10T11:41:06,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl- 2026-02-10T11:41:06,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl- 2026-02-10T11:41:06,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:41:06,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:41:06,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S 2026-02-10T11:41:06,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S 2026-02-10T11:41:06,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf 2026-02-10T11:41:06,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf 2026-02-10T11:41:06,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04 2026-02-10T11:41:06,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04 2026-02-10T11:41:06,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3 2026-02-10T11:41:06,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3 2026-02-10T11:41:06,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02 2026-02-10T11:41:06,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02 2026-02-10T11:41:06,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco 2026-02-10T11:41:06,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco 2026-02-10T11:41:06,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16 2026-02-10T11:41:06,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16 2026-02-10T11:41:06,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h 2026-02-10T11:41:06,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h 2026-02-10T11:41:06,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18 2026-02-10T11:41:06,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18 2026-02-10T11:41:06,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:41:06,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:41:06,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6 2026-02-10T11:41:06,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6 2026-02-10T11:41:06,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts 2026-02-10T11:41:06,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts 2026-02-10T11:41:06,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4 2026-02-10T11:41:06,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4 2026-02-10T11:41:06,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2 2026-02-10T11:41:06,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2 2026-02-10T11:41:06,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11 2026-02-10T11:41:06,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11 2026-02-10T11:41:06,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts 2026-02-10T11:41:06,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts 2026-02-10T11:41:06,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts 2026-02-10T11:41:06,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts 2026-02-10T11:41:06,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01 2026-02-10T11:41:06,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01 2026-02-10T11:41:06,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10 2026-02-10T11:41:06,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10 2026-02-10T11:41:06,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts 2026-02-10T11:41:06,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts 2026-02-10T11:41:06,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH 2026-02-10T11:41:06,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH 2026-02-10T11:41:06,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts 2026-02-10T11:41:06,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts 2026-02-10T11:41:06,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2 2026-02-10T11:41:06,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2 2026-02-10T11:41:06,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5 2026-02-10T11:41:06,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5 2026-02-10T11:41:06,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12 2026-02-10T11:41:06,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12 2026-02-10T11:41:06,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06 2026-02-10T11:41:06,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06 2026-02-10T11:41:06,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh 2026-02-10T11:41:06,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh 2026-02-10T11:41:06,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15 2026-02-10T11:41:06,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15 2026-02-10T11:41:06,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7 2026-02-10T11:41:06,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7 2026-02-10T11:41:06,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O 2026-02-10T11:41:06,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O 2026-02-10T11:41:06,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08 2026-02-10T11:41:06,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08 2026-02-10T11:41:06,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts 2026-02-10T11:41:06,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts 2026-02-10T11:41:06,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05 2026-02-10T11:41:06,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05 2026-02-10T11:41:06,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts 2026-02-10T11:41:06,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts 2026-02-10T11:41:06,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f 2026-02-10T11:41:06,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f 2026-02-10T11:41:06,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl 2026-02-10T11:41:06,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl 2026-02-10T11:41:06,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2 2026-02-10T11:41:06,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2 2026-02-10T11:41:06,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts 2026-02-10T11:41:06,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts 2026-02-10T11:41:06,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts 2026-02-10T11:41:06,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts 2026-02-10T11:41:06,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03 2026-02-10T11:41:06,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03 2026-02-10T11:41:06,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts 2026-02-10T11:41:06,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts 2026-02-10T11:41:06,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts 2026-02-10T11:41:06,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts 2026-02-10T11:41:06,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts 2026-02-10T11:41:06,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts 2026-02-10T11:41:06,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2 2026-02-10T11:41:06,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2 2026-02-10T11:41:06,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o 2026-02-10T11:41:06,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o 2026-02-10T11:41:06,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl 2026-02-10T11:41:06,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl 2026-02-10T11:41:06,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f 2026-02-10T11:41:06,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f 2026-02-10T11:41:06,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3 2026-02-10T11:41:06,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3 2026-02-10T11:41:06,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21 2026-02-10T11:41:06,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21 2026-02-10T11:41:06,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn 2026-02-10T11:41:06,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn 2026-02-10T11:41:06,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl 2026-02-10T11:41:06,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl 2026-02-10T11:41:06,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5 2026-02-10T11:41:06,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5 2026-02-10T11:41:06,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH 2026-02-10T11:41:06,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH 2026-02-10T11:41:06,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09 2026-02-10T11:41:06,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09 2026-02-10T11:41:06,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL 2026-02-10T11:41:06,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL 2026-02-10T11:41:06,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:41:06,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:41:06,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:41:06,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:41:06,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N 2026-02-10T11:41:06,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N 2026-02-10T11:41:06,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:41:06,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:41:06,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:41:06,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:41:06,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:41:06,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:41:06,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:41:06,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:41:06,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:41:06,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:41:06,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:41:06,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:41:06,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:41:06,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:41:06,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:41:06,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:41:06,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O 2026-02-10T11:41:06,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O 2026-02-10T11:41:06,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:41:06,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:41:06,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N 2026-02-10T11:41:06,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N 2026-02-10T11:41:06,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N 2026-02-10T11:41:06,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N 2026-02-10T11:41:06,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:41:06,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:41:06,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:41:06,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:41:06,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL 2026-02-10T11:41:06,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL 2026-02-10T11:41:06,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:41:06,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:41:06,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:41:06,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:41:06,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:41:06,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:41:06,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:41:06,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:41:06,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:41:06,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:41:06,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL 2026-02-10T11:41:06,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL 2026-02-10T11:41:06,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:41:06,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:41:06,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O 2026-02-10T11:41:06,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O 2026-02-10T11:41:06,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:41:06,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:41:06,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O 2026-02-10T11:41:06,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O 2026-02-10T11:41:06,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:41:06,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:41:06,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:41:06,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:41:06,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:41:06,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:41:06,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:41:06,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:41:06,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL 2026-02-10T11:41:06,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL 2026-02-10T11:41:06,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N 2026-02-10T11:41:06,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N 2026-02-10T11:41:06,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O 2026-02-10T11:41:06,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O 2026-02-10T11:41:06,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37 2026-02-10T11:41:06,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37 2026-02-10T11:41:06,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41 2026-02-10T11:41:06,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41 2026-02-10T11:41:06,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25 2026-02-10T11:41:06,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25 2026-02-10T11:41:06,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39 2026-02-10T11:41:06,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39 2026-02-10T11:41:06,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45 2026-02-10T11:41:06,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45 2026-02-10T11:41:06,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24 2026-02-10T11:41:06,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24 2026-02-10T11:41:06,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23 2026-02-10T11:41:06,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23 2026-02-10T11:41:06,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19 2026-02-10T11:41:06,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19 2026-02-10T11:41:06,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21 2026-02-10T11:41:06,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21 2026-02-10T11:41:06,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45 2026-02-10T11:41:06,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45 2026-02-10T11:41:06,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26 2026-02-10T11:41:06,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26 2026-02-10T11:41:06,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40 2026-02-10T11:41:06,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40 2026-02-10T11:41:06,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44 2026-02-10T11:41:06,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44 2026-02-10T11:41:06,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37 2026-02-10T11:41:06,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37 2026-02-10T11:41:06,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9 2026-02-10T11:41:06,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9 2026-02-10T11:41:06,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3 2026-02-10T11:41:06,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3 2026-02-10T11:41:06,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6 2026-02-10T11:41:06,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6 2026-02-10T11:41:06,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4 2026-02-10T11:41:06,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4 2026-02-10T11:41:06,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20 2026-02-10T11:41:06,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20 2026-02-10T11:41:06,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27 2026-02-10T11:41:06,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27 2026-02-10T11:41:06,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43 2026-02-10T11:41:06,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43 2026-02-10T11:41:06,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6 2026-02-10T11:41:06,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6 2026-02-10T11:41:06,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36 2026-02-10T11:41:06,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36 2026-02-10T11:41:06,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26 2026-02-10T11:41:06,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26 2026-02-10T11:41:06,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36 2026-02-10T11:41:06,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36 2026-02-10T11:41:06,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30 2026-02-10T11:41:06,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30 2026-02-10T11:41:06,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22 2026-02-10T11:41:06,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22 2026-02-10T11:41:06,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10 2026-02-10T11:41:06,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10 2026-02-10T11:41:06,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20 2026-02-10T11:41:06,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20 2026-02-10T11:41:06,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11 2026-02-10T11:41:06,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11 2026-02-10T11:41:06,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7 2026-02-10T11:41:06,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7 2026-02-10T11:41:06,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34 2026-02-10T11:41:06,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34 2026-02-10T11:41:06,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7 2026-02-10T11:41:07,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7 2026-02-10T11:41:07,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32 2026-02-10T11:41:07,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32 2026-02-10T11:41:07,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30 2026-02-10T11:41:07,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30 2026-02-10T11:41:07,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44 2026-02-10T11:41:07,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44 2026-02-10T11:41:07,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42 2026-02-10T11:41:07,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42 2026-02-10T11:41:07,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1 2026-02-10T11:41:07,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1 2026-02-10T11:41:07,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12 2026-02-10T11:41:07,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12 2026-02-10T11:41:07,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4 2026-02-10T11:41:07,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4 2026-02-10T11:41:07,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43 2026-02-10T11:41:07,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43 2026-02-10T11:41:07,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15 2026-02-10T11:41:07,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15 2026-02-10T11:41:07,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15 2026-02-10T11:41:07,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15 2026-02-10T11:41:07,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2 2026-02-10T11:41:07,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2 2026-02-10T11:41:07,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22 2026-02-10T11:41:07,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22 2026-02-10T11:41:07,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23 2026-02-10T11:41:07,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23 2026-02-10T11:41:07,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38 2026-02-10T11:41:07,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38 2026-02-10T11:41:07,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24 2026-02-10T11:41:07,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24 2026-02-10T11:41:07,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16 2026-02-10T11:41:07,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16 2026-02-10T11:41:07,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34 2026-02-10T11:41:07,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34 2026-02-10T11:41:07,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10 2026-02-10T11:41:07,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10 2026-02-10T11:41:07,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17 2026-02-10T11:41:07,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17 2026-02-10T11:41:07,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17 2026-02-10T11:41:07,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17 2026-02-10T11:41:07,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3 2026-02-10T11:41:07,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3 2026-02-10T11:41:07,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35 2026-02-10T11:41:07,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35 2026-02-10T11:41:07,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21 2026-02-10T11:41:07,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21 2026-02-10T11:41:07,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27 2026-02-10T11:41:07,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27 2026-02-10T11:41:07,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13 2026-02-10T11:41:07,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13 2026-02-10T11:41:07,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5 2026-02-10T11:41:07,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5 2026-02-10T11:41:07,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31 2026-02-10T11:41:07,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31 2026-02-10T11:41:07,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35 2026-02-10T11:41:07,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35 2026-02-10T11:41:07,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8 2026-02-10T11:41:07,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8 2026-02-10T11:41:07,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29 2026-02-10T11:41:07,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29 2026-02-10T11:41:07,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1 2026-02-10T11:41:07,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1 2026-02-10T11:41:07,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2 2026-02-10T11:41:07,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2 2026-02-10T11:41:07,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42 2026-02-10T11:41:07,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42 2026-02-10T11:41:07,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5 2026-02-10T11:41:07,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5 2026-02-10T11:41:07,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33 2026-02-10T11:41:07,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33 2026-02-10T11:41:07,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38 2026-02-10T11:41:07,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38 2026-02-10T11:41:07,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31 2026-02-10T11:41:07,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31 2026-02-10T11:41:07,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33 2026-02-10T11:41:07,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33 2026-02-10T11:41:07,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16 2026-02-10T11:41:07,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16 2026-02-10T11:41:07,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9 2026-02-10T11:41:07,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9 2026-02-10T11:41:07,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11 2026-02-10T11:41:07,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11 2026-02-10T11:41:07,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12 2026-02-10T11:41:07,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12 2026-02-10T11:41:07,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8 2026-02-10T11:41:07,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8 2026-02-10T11:41:07,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29 2026-02-10T11:41:07,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29 2026-02-10T11:41:07,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25 2026-02-10T11:41:07,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25 2026-02-10T11:41:07,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13 2026-02-10T11:41:07,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13 2026-02-10T11:41:07,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40 2026-02-10T11:41:07,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40 2026-02-10T11:41:07,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28 2026-02-10T11:41:07,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28 2026-02-10T11:41:07,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18 2026-02-10T11:41:07,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18 2026-02-10T11:41:07,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41 2026-02-10T11:41:07,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41 2026-02-10T11:41:07,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19 2026-02-10T11:41:07,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19 2026-02-10T11:41:07,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18 2026-02-10T11:41:07,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18 2026-02-10T11:41:07,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39 2026-02-10T11:41:07,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39 2026-02-10T11:41:07,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32 2026-02-10T11:41:07,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32 2026-02-10T11:41:07,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28 2026-02-10T11:41:07,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28 2026-02-10T11:41:07,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo 2026-02-10T11:41:07,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo 2026-02-10T11:41:07,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef 2026-02-10T11:41:07,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef 2026-02-10T11:41:07,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:41:07,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:41:07,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o 2026-02-10T11:41:07,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o 2026-02-10T11:41:07,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be 2026-02-10T11:41:07,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be 2026-02-10T11:41:07,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na 2026-02-10T11:41:07,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na 2026-02-10T11:41:07,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf 2026-02-10T11:41:07,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf 2026-02-10T11:41:07,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao 2026-02-10T11:41:07,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao 2026-02-10T11:41:07,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h 2026-02-10T11:41:07,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h 2026-02-10T11:41:07,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca 2026-02-10T11:41:07,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca 2026-02-10T11:41:07,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li 2026-02-10T11:41:07,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li 2026-02-10T11:41:07,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s 2026-02-10T11:41:07,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s 2026-02-10T11:41:07,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k 2026-02-10T11:41:07,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k 2026-02-10T11:41:07,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg 2026-02-10T11:41:07,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg 2026-02-10T11:41:07,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf 2026-02-10T11:41:07,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf 2026-02-10T11:41:07,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f 2026-02-10T11:41:07,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f 2026-02-10T11:41:07,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:41:07,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:41:07,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao 2026-02-10T11:41:07,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao 2026-02-10T11:41:07,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio 2026-02-10T11:41:07,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio 2026-02-10T11:41:07,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif 2026-02-10T11:41:07,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif 2026-02-10T11:41:07,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1 2026-02-10T11:41:07,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1 2026-02-10T11:41:07,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128 2026-02-10T11:41:07,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128 2026-02-10T11:41:07,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18 2026-02-10T11:41:07,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18 2026-02-10T11:41:07,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117 2026-02-10T11:41:07,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117 2026-02-10T11:41:07,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97 2026-02-10T11:41:07,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97 2026-02-10T11:41:07,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34 2026-02-10T11:41:07,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34 2026-02-10T11:41:07,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13 2026-02-10T11:41:07,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13 2026-02-10T11:41:07,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126 2026-02-10T11:41:07,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126 2026-02-10T11:41:07,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94 2026-02-10T11:41:07,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94 2026-02-10T11:41:07,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62 2026-02-10T11:41:07,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62 2026-02-10T11:41:07,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82 2026-02-10T11:41:07,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82 2026-02-10T11:41:07,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45 2026-02-10T11:41:07,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45 2026-02-10T11:41:07,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104 2026-02-10T11:41:07,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104 2026-02-10T11:41:07,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66 2026-02-10T11:41:07,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66 2026-02-10T11:41:07,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61 2026-02-10T11:41:07,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61 2026-02-10T11:41:07,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118 2026-02-10T11:41:07,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118 2026-02-10T11:41:07,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59 2026-02-10T11:41:07,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59 2026-02-10T11:41:07,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73 2026-02-10T11:41:07,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73 2026-02-10T11:41:07,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100 2026-02-10T11:41:07,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100 2026-02-10T11:41:07,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88 2026-02-10T11:41:07,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88 2026-02-10T11:41:07,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25 2026-02-10T11:41:07,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25 2026-02-10T11:41:07,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30 2026-02-10T11:41:07,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30 2026-02-10T11:41:07,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67 2026-02-10T11:41:07,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67 2026-02-10T11:41:07,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57 2026-02-10T11:41:07,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57 2026-02-10T11:41:07,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56 2026-02-10T11:41:07,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56 2026-02-10T11:41:07,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22 2026-02-10T11:41:07,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22 2026-02-10T11:41:07,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23 2026-02-10T11:41:07,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23 2026-02-10T11:41:07,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47 2026-02-10T11:41:07,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47 2026-02-10T11:41:07,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26 2026-02-10T11:41:07,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26 2026-02-10T11:41:07,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6 2026-02-10T11:41:07,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6 2026-02-10T11:41:07,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40 2026-02-10T11:41:07,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40 2026-02-10T11:41:07,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51 2026-02-10T11:41:07,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51 2026-02-10T11:41:07,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11 2026-02-10T11:41:07,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11 2026-02-10T11:41:07,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32 2026-02-10T11:41:07,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32 2026-02-10T11:41:07,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106 2026-02-10T11:41:07,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106 2026-02-10T11:41:07,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24 2026-02-10T11:41:07,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24 2026-02-10T11:41:07,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121 2026-02-10T11:41:07,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121 2026-02-10T11:41:07,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21 2026-02-10T11:41:07,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21 2026-02-10T11:41:07,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60 2026-02-10T11:41:07,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60 2026-02-10T11:41:07,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52 2026-02-10T11:41:07,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52 2026-02-10T11:41:07,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39 2026-02-10T11:41:07,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39 2026-02-10T11:41:07,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113 2026-02-10T11:41:07,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113 2026-02-10T11:41:07,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14 2026-02-10T11:41:07,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14 2026-02-10T11:41:07,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33 2026-02-10T11:41:07,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33 2026-02-10T11:41:07,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68 2026-02-10T11:41:07,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68 2026-02-10T11:41:07,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58 2026-02-10T11:41:07,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58 2026-02-10T11:41:07,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8 2026-02-10T11:41:07,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8 2026-02-10T11:41:07,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane 2026-02-10T11:41:07,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane 2026-02-10T11:41:07,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:41:07,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:41:07,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran 2026-02-10T11:41:07,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran 2026-02-10T11:41:07,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:41:07,430 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 2026-02-10T11:41:07,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:41:07,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:41:07,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran 2026-02-10T11:41:07,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran 2026-02-10T11:41:07,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:41:07,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:41:07,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene 2026-02-10T11:41:07,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene 2026-02-10T11:41:07,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene 2026-02-10T11:41:07,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene 2026-02-10T11:41:07,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne 2026-02-10T11:41:07,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne 2026-02-10T11:41:07,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN 2026-02-10T11:41:07,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN 2026-02-10T11:41:07,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:41:07,456 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 2026-02-10T11:41:07,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane 2026-02-10T11:41:07,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane 2026-02-10T11:41:07,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2 2026-02-10T11:41:07,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2 2026-02-10T11:41:07,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol 2026-02-10T11:41:07,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol 2026-02-10T11:41:07,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:41:07,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:41:07,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O 2026-02-10T11:41:07,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O 2026-02-10T11:41:07,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:41:07,476 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 2026-02-10T11:41:07,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:41:07,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:41:07,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole 2026-02-10T11:41:07,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole 2026-02-10T11:41:07,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:41:07,487 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 2026-02-10T11:41:07,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:41:07,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:41:07,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:41:07,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:41:07,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione 2026-02-10T11:41:07,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione 2026-02-10T11:41:07,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN 2026-02-10T11:41:07,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN 2026-02-10T11:41:07,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene 2026-02-10T11:41:07,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene 2026-02-10T11:41:07,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:41:07,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:41:07,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol 2026-02-10T11:41:07,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol 2026-02-10T11:41:07,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S 2026-02-10T11:41:07,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S 2026-02-10T11:41:07,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:41:07,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:41:07,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO 2026-02-10T11:41:07,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO 2026-02-10T11:41:07,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:41:07,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:41:07,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:41:07,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:41:07,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:41:07,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:41:07,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine 2026-02-10T11:41:07,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine 2026-02-10T11:41:07,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2 2026-02-10T11:41:07,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2 2026-02-10T11:41:07,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:41:07,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:41:07,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO 2026-02-10T11:41:07,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO 2026-02-10T11:41:07,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:41:07,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:41:07,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:41:07,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:41:07,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:41:07,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:41:07,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene 2026-02-10T11:41:07,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene 2026-02-10T11:41:07,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane 2026-02-10T11:41:07,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane 2026-02-10T11:41:07,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:41:07,564 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 2026-02-10T11:41:07,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:41:07,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:41:07,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:41:07,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:41:07,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2 2026-02-10T11:41:07,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2 2026-02-10T11:41:07,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne 2026-02-10T11:41:07,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne 2026-02-10T11:41:07,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne 2026-02-10T11:41:07,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne 2026-02-10T11:41:07,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:41:07,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:41:07,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene 2026-02-10T11:41:07,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene 2026-02-10T11:41:07,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:41:07,594 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 2026-02-10T11:41:07,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine 2026-02-10T11:41:07,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine 2026-02-10T11:41:07,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:41:07,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:41:07,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene 2026-02-10T11:41:07,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene 2026-02-10T11:41:07,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:41:07,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:41:07,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:41:07,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:41:07,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:41:07,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:41:07,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:41:07,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:41:07,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl 2026-02-10T11:41:07,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl 2026-02-10T11:41:07,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:41:07,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:41:07,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:41:07,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:41:07,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne 2026-02-10T11:41:07,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne 2026-02-10T11:41:07,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:41:07,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:41:07,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol 2026-02-10T11:41:07,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol 2026-02-10T11:41:07,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2 2026-02-10T11:41:07,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2 2026-02-10T11:41:07,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene 2026-02-10T11:41:07,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene 2026-02-10T11:41:07,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:41:07,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:41:07,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O 2026-02-10T11:41:07,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O 2026-02-10T11:41:07,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:41:07,677 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 2026-02-10T11:41:07,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:41:07,680 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 2026-02-10T11:41:07,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene 2026-02-10T11:41:07,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene 2026-02-10T11:41:07,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane 2026-02-10T11:41:07,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane 2026-02-10T11:41:07,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:41:07,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:41:07,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:41:07,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:41:07,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:41:07,698 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 2026-02-10T11:41:07,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH 2026-02-10T11:41:07,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH 2026-02-10T11:41:07,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol 2026-02-10T11:41:07,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol 2026-02-10T11:41:07,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2 2026-02-10T11:41:07,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2 2026-02-10T11:41:07,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:41:07,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:41:07,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:41:07,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:41:07,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:41:07,719 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 2026-02-10T11:41:07,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:41:07,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:41:07,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3 2026-02-10T11:41:07,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3 2026-02-10T11:41:07,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:41:07,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:41:07,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:41:07,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:41:07,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:41:07,736 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 2026-02-10T11:41:07,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:41:07,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:41:07,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:41:07,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:41:07,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:41:07,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:41:07,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:41:07,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:41:07,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br 2026-02-10T11:41:07,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br 2026-02-10T11:41:07,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:41:07,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:41:07,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:41:07,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:41:07,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:41:07,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:41:07,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:41:07,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:41:07,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:41:07,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:41:07,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:41:07,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:41:07,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:41:07,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:41:07,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:41:07,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:41:07,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:41:07,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:41:07,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:41:07,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:41:07,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:41:07,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:41:07,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:41:07,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:41:07,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:41:07,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:41:07,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:41:07,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:41:07,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:41:07,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:41:07,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:41:07,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:41:07,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:41:07,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:41:07,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:41:07,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:41:07,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:41:07,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:41:07,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:41:07,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:41:07,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s 2026-02-10T11:41:07,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s 2026-02-10T11:41:07,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3 2026-02-10T11:41:07,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3 2026-02-10T11:41:07,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:41:07,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:41:07,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:41:07,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:41:07,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be 2026-02-10T11:41:07,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be 2026-02-10T11:41:07,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:41:07,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:41:07,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:41:07,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:41:07,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:41:07,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:41:07,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3 2026-02-10T11:41:07,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3 2026-02-10T11:41:07,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:41:07,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:41:07,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg 2026-02-10T11:41:07,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg 2026-02-10T11:41:07,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:41:07,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:41:07,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:41:07,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:41:07,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:41:07,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:41:07,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:41:07,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:41:07,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:41:07,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:41:07,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:41:07,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:41:07,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:41:07,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:41:07,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1 2026-02-10T11:41:07,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1 2026-02-10T11:41:07,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:41:07,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:41:07,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:41:07,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:41:07,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:41:07,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:41:07,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:41:07,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:41:07,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:41:07,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:41:07,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:41:07,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:41:07,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:41:07,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:41:07,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:41:07,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:41:07,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:41:07,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:41:07,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:41:07,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:41:07,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:41:07,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:41:07,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:41:07,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:41:07,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:41:07,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:41:07,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:41:07,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:41:07,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2 2026-02-10T11:41:07,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2 2026-02-10T11:41:07,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:41:07,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:41:07,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:41:07,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:41:07,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:41:07,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:41:07,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:41:07,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:41:07,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:41:07,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:41:07,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:41:07,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:41:07,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:41:07,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:41:07,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:41:07,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:41:07,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:41:07,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:41:07,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:41:07,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:41:07,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2 2026-02-10T11:41:07,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2 2026-02-10T11:41:07,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:41:07,990 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 2026-02-10T11:41:07,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:41:07,995 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 2026-02-10T11:41:07,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2 2026-02-10T11:41:07,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2 2026-02-10T11:41:08,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4 2026-02-10T11:41:08,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4 2026-02-10T11:41:08,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3 2026-02-10T11:41:08,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3 2026-02-10T11:41:08,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4 2026-02-10T11:41:08,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4 2026-02-10T11:41:08,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:41:08,012 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 2026-02-10T11:41:08,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:41:08,015 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 2026-02-10T11:41:08,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3 2026-02-10T11:41:08,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3 2026-02-10T11:41:08,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:41:08,022 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 2026-02-10T11:41:08,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5 2026-02-10T11:41:08,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5 2026-02-10T11:41:08,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:41:08,028 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 2026-02-10T11:41:08,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf 2026-02-10T11:41:08,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf 2026-02-10T11:41:08,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:41:08,035 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 2026-02-10T11:41:08,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:41:08,039 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 2026-02-10T11:41:08,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:41:08,042 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 2026-02-10T11:41:08,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6 2026-02-10T11:41:08,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6 2026-02-10T11:41:08,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4 2026-02-10T11:41:08,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4 2026-02-10T11:41:08,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o 2026-02-10T11:41:08,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o 2026-02-10T11:41:08,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6 2026-02-10T11:41:08,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6 2026-02-10T11:41:08,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:41:08,059 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 2026-02-10T11:41:08,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3 2026-02-10T11:41:08,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3 2026-02-10T11:41:08,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:41:08,066 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 2026-02-10T11:41:08,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:41:08,070 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 2026-02-10T11:41:08,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5 2026-02-10T11:41:08,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5 2026-02-10T11:41:08,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2 2026-02-10T11:41:08,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2 2026-02-10T11:41:08,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3 2026-02-10T11:41:08,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3 2026-02-10T11:41:08,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:41:08,083 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 2026-02-10T11:41:08,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:41:08,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:41:08,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:41:08,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:41:08,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:41:08,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:41:08,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s 2026-02-10T11:41:08,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s 2026-02-10T11:41:08,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3 2026-02-10T11:41:08,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3 2026-02-10T11:41:08,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:41:08,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:41:08,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:41:08,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:41:08,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:41:08,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:41:08,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:41:08,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:41:08,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:41:08,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:41:08,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:41:08,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:41:08,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:41:08,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:41:08,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o 2026-02-10T11:41:08,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o 2026-02-10T11:41:08,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:41:08,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:41:08,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi 2026-02-10T11:41:08,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi 2026-02-10T11:41:08,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:41:08,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:41:08,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:41:08,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:41:08,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:41:08,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:41:08,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:41:08,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:41:08,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:41:08,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:41:08,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:41:08,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:41:08,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:41:08,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:41:08,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr 2026-02-10T11:41:08,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr 2026-02-10T11:41:08,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:41:08,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:41:08,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:41:08,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:41:08,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3 2026-02-10T11:41:08,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3 2026-02-10T11:41:08,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:41:08,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:41:08,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:41:08,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:41:08,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:41:08,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:41:08,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:41:08,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:41:08,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl 2026-02-10T11:41:08,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl 2026-02-10T11:41:08,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:41:08,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:41:08,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:41:08,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:41:08,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:41:08,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:41:08,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:41:08,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:41:08,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:41:08,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:41:08,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:41:08,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:41:08,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2 2026-02-10T11:41:08,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2 2026-02-10T11:41:08,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2 2026-02-10T11:41:08,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2 2026-02-10T11:41:08,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l 2026-02-10T11:41:08,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l 2026-02-10T11:41:08,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f 2026-02-10T11:41:08,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f 2026-02-10T11:41:08,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1 2026-02-10T11:41:08,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1 2026-02-10T11:41:08,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant 2026-02-10T11:41:08,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant 2026-02-10T11:41:08,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2 2026-02-10T11:41:08,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2 2026-02-10T11:41:08,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l 2026-02-10T11:41:08,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l 2026-02-10T11:41:08,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene 2026-02-10T11:41:08,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene 2026-02-10T11:41:08,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22 2026-02-10T11:41:08,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22 2026-02-10T11:41:08,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1 2026-02-10T11:41:08,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1 2026-02-10T11:41:08,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f 2026-02-10T11:41:08,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f 2026-02-10T11:41:08,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer 2026-02-10T11:41:08,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer 2026-02-10T11:41:08,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2 2026-02-10T11:41:08,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2 2026-02-10T11:41:08,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:41:08,265 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 2026-02-10T11:41:08,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:41:08,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:41:08,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:41:08,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:41:08,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:41:08,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:41:08,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:41:08,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:41:08,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:41:08,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:41:08,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3 2026-02-10T11:41:08,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3 2026-02-10T11:41:08,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2 2026-02-10T11:41:08,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2 2026-02-10T11:41:08,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:41:08,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:41:08,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:41:08,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:41:08,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3 2026-02-10T11:41:08,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3 2026-02-10T11:41:08,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS 2026-02-10T11:41:08,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS 2026-02-10T11:41:08,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:41:08,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:41:08,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:41:08,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:41:08,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O 2026-02-10T11:41:08,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O 2026-02-10T11:41:08,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3 2026-02-10T11:41:08,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3 2026-02-10T11:41:08,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3 2026-02-10T11:41:08,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3 2026-02-10T11:41:08,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:41:08,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:41:08,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether 2026-02-10T11:41:08,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether 2026-02-10T11:41:08,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph 2026-02-10T11:41:08,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph 2026-02-10T11:41:08,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S 2026-02-10T11:41:08,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S 2026-02-10T11:41:08,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:41:08,337 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 2026-02-10T11:41:08,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:41:08,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:41:08,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:41:08,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:41:08,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:41:08,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:41:08,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:41:08,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:41:08,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:41:08,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:41:08,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:41:08,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:41:08,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:41:08,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:41:08,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS 2026-02-10T11:41:08,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS 2026-02-10T11:41:08,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether 2026-02-10T11:41:08,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether 2026-02-10T11:41:08,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:41:08,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:41:08,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:41:08,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:41:08,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:41:08,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:41:08,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:41:08,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:41:08,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:41:08,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:41:08,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3 2026-02-10T11:41:08,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3 2026-02-10T11:41:08,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:41:08,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:41:08,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene 2026-02-10T11:41:08,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene 2026-02-10T11:41:08,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:41:08,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:41:08,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene 2026-02-10T11:41:08,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene 2026-02-10T11:41:08,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:41:08,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:41:08,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS 2026-02-10T11:41:08,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS 2026-02-10T11:41:08,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:41:08,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:41:08,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:41:08,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:41:08,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:41:08,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:41:08,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:41:08,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:41:08,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS 2026-02-10T11:41:08,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS 2026-02-10T11:41:08,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b 2026-02-10T11:41:08,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b 2026-02-10T11:41:08,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1 2026-02-10T11:41:08,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1 2026-02-10T11:41:08,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b 2026-02-10T11:41:08,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b 2026-02-10T11:41:08,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a 2026-02-10T11:41:08,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a 2026-02-10T11:41:08,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b 2026-02-10T11:41:08,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b 2026-02-10T11:41:08,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b 2026-02-10T11:41:08,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b 2026-02-10T11:41:08,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4 2026-02-10T11:41:08,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4 2026-02-10T11:41:08,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b 2026-02-10T11:41:08,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b 2026-02-10T11:41:08,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b 2026-02-10T11:41:08,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b 2026-02-10T11:41:08,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12 2026-02-10T11:41:08,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12 2026-02-10T11:41:08,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a 2026-02-10T11:41:08,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a 2026-02-10T11:41:08,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a 2026-02-10T11:41:08,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a 2026-02-10T11:41:08,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a 2026-02-10T11:41:08,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a 2026-02-10T11:41:08,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b 2026-02-10T11:41:08,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b 2026-02-10T11:41:08,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18 2026-02-10T11:41:08,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18 2026-02-10T11:41:08,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13 2026-02-10T11:41:08,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13 2026-02-10T11:41:08,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b 2026-02-10T11:41:08,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b 2026-02-10T11:41:08,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b 2026-02-10T11:41:08,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b 2026-02-10T11:41:08,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a 2026-02-10T11:41:08,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a 2026-02-10T11:41:08,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b 2026-02-10T11:41:08,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b 2026-02-10T11:41:08,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b 2026-02-10T11:41:08,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b 2026-02-10T11:41:08,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20 2026-02-10T11:41:08,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20 2026-02-10T11:41:08,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a 2026-02-10T11:41:08,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a 2026-02-10T11:41:08,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b 2026-02-10T11:41:08,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b 2026-02-10T11:41:08,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a 2026-02-10T11:41:08,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a 2026-02-10T11:41:08,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3 2026-02-10T11:41:08,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3 2026-02-10T11:41:08,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b 2026-02-10T11:41:08,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b 2026-02-10T11:41:08,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a 2026-02-10T11:41:08,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a 2026-02-10T11:41:08,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16 2026-02-10T11:41:08,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16 2026-02-10T11:41:08,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a 2026-02-10T11:41:08,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a 2026-02-10T11:41:08,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b 2026-02-10T11:41:08,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b 2026-02-10T11:41:08,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9 2026-02-10T11:41:08,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9 2026-02-10T11:41:08,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22 2026-02-10T11:41:08,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22 2026-02-10T11:41:08,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7 2026-02-10T11:41:08,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7 2026-02-10T11:41:08,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23 2026-02-10T11:41:08,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23 2026-02-10T11:41:08,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a 2026-02-10T11:41:08,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a 2026-02-10T11:41:08,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b 2026-02-10T11:41:08,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b 2026-02-10T11:41:08,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10 2026-02-10T11:41:08,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10 2026-02-10T11:41:08,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b 2026-02-10T11:41:08,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b 2026-02-10T11:41:08,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a 2026-02-10T11:41:08,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a 2026-02-10T11:41:08,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a 2026-02-10T11:41:08,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a 2026-02-10T11:41:08,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a 2026-02-10T11:41:08,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a 2026-02-10T11:41:08,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a 2026-02-10T11:41:08,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a 2026-02-10T11:41:08,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a 2026-02-10T11:41:08,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a 2026-02-10T11:41:08,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6 2026-02-10T11:41:08,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6 2026-02-10T11:41:08,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b 2026-02-10T11:41:08,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b 2026-02-10T11:41:08,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b 2026-02-10T11:41:08,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b 2026-02-10T11:41:08,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b 2026-02-10T11:41:08,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b 2026-02-10T11:41:08,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a 2026-02-10T11:41:08,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a 2026-02-10T11:41:08,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a 2026-02-10T11:41:08,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a 2026-02-10T11:41:08,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11 2026-02-10T11:41:08,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11 2026-02-10T11:41:08,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5 2026-02-10T11:41:08,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5 2026-02-10T11:41:08,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b 2026-02-10T11:41:08,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b 2026-02-10T11:41:08,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15 2026-02-10T11:41:08,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15 2026-02-10T11:41:08,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a 2026-02-10T11:41:08,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a 2026-02-10T11:41:08,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17 2026-02-10T11:41:08,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17 2026-02-10T11:41:08,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a 2026-02-10T11:41:08,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a 2026-02-10T11:41:08,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21 2026-02-10T11:41:08,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21 2026-02-10T11:41:08,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a 2026-02-10T11:41:08,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a 2026-02-10T11:41:08,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a 2026-02-10T11:41:08,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a 2026-02-10T11:41:08,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b 2026-02-10T11:41:08,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b 2026-02-10T11:41:08,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b 2026-02-10T11:41:08,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b 2026-02-10T11:41:08,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2 2026-02-10T11:41:08,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2 2026-02-10T11:41:08,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14 2026-02-10T11:41:08,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14 2026-02-10T11:41:08,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b 2026-02-10T11:41:08,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b 2026-02-10T11:41:08,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19 2026-02-10T11:41:08,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19 2026-02-10T11:41:08,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a 2026-02-10T11:41:08,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a 2026-02-10T11:41:08,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a 2026-02-10T11:41:08,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a 2026-02-10T11:41:08,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8 2026-02-10T11:41:08,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8 2026-02-10T11:41:08,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic 2026-02-10T11:41:08,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic 2026-02-10T11:41:08,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of 2026-02-10T11:41:08,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of 2026-02-10T11:41:08,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo 2026-02-10T11:41:08,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo 2026-02-10T11:41:08,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4 2026-02-10T11:41:08,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4 2026-02-10T11:41:08,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh 2026-02-10T11:41:08,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh 2026-02-10T11:41:08,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc 2026-02-10T11:41:08,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc 2026-02-10T11:41:08,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh 2026-02-10T11:41:08,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh 2026-02-10T11:41:08,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic 2026-02-10T11:41:08,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic 2026-02-10T11:41:08,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal 2026-02-10T11:41:08,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal 2026-02-10T11:41:08,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof 2026-02-10T11:41:08,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof 2026-02-10T11:41:08,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono 2026-02-10T11:41:08,720 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 2026-02-10T11:41:08,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene 2026-02-10T11:41:08,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene 2026-02-10T11:41:08,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:41:08,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:41:08,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:41:08,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:41:08,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2 2026-02-10T11:41:08,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2 2026-02-10T11:41:08,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh 2026-02-10T11:41:08,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh 2026-02-10T11:41:08,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf 2026-02-10T11:41:08,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf 2026-02-10T11:41:08,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2 2026-02-10T11:41:08,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2 2026-02-10T11:41:08,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2 2026-02-10T11:41:08,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2 2026-02-10T11:41:08,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof 2026-02-10T11:41:08,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof 2026-02-10T11:41:08,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf 2026-02-10T11:41:08,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf 2026-02-10T11:41:08,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s 2026-02-10T11:41:08,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s 2026-02-10T11:41:08,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf 2026-02-10T11:41:08,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf 2026-02-10T11:41:08,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co 2026-02-10T11:41:08,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co 2026-02-10T11:41:08,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3 2026-02-10T11:41:08,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3 2026-02-10T11:41:08,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3 2026-02-10T11:41:08,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3 2026-02-10T11:41:08,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn 2026-02-10T11:41:08,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn 2026-02-10T11:41:08,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol 2026-02-10T11:41:08,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol 2026-02-10T11:41:08,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh 2026-02-10T11:41:08,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh 2026-02-10T11:41:08,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2 2026-02-10T11:41:08,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2 2026-02-10T11:41:08,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol 2026-02-10T11:41:08,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol 2026-02-10T11:41:08,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2 2026-02-10T11:41:08,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2 2026-02-10T11:41:08,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f 2026-02-10T11:41:08,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f 2026-02-10T11:41:08,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6 2026-02-10T11:41:08,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6 2026-02-10T11:41:08,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4 2026-02-10T11:41:08,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4 2026-02-10T11:41:08,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs 2026-02-10T11:41:09,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs 2026-02-10T11:41:09,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn 2026-02-10T11:41:09,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn 2026-02-10T11:41:09,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3 2026-02-10T11:41:09,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3 2026-02-10T11:41:09,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b 2026-02-10T11:41:09,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b 2026-02-10T11:41:09,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2 2026-02-10T11:41:09,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2 2026-02-10T11:41:09,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2 2026-02-10T11:41:09,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2 2026-02-10T11:41:09,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl 2026-02-10T11:41:09,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl 2026-02-10T11:41:09,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh 2026-02-10T11:41:09,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh 2026-02-10T11:41:09,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:41:09,068 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 2026-02-10T11:41:09,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o 2026-02-10T11:41:09,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o 2026-02-10T11:41:09,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4 2026-02-10T11:41:09,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4 2026-02-10T11:41:09,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:41:09,080 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 2026-02-10T11:41:09,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6 2026-02-10T11:41:09,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6 2026-02-10T11:41:09,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno 2026-02-10T11:41:09,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno 2026-02-10T11:41:09,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2 2026-02-10T11:41:09,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2 2026-02-10T11:41:09,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo 2026-02-10T11:41:09,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo 2026-02-10T11:41:09,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn 2026-02-10T11:41:09,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn 2026-02-10T11:41:09,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne 2026-02-10T11:41:09,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne 2026-02-10T11:41:09,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2 2026-02-10T11:41:09,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2 2026-02-10T11:41:09,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o 2026-02-10T11:41:09,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o 2026-02-10T11:41:09,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:41:09,117 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 2026-02-10T11:41:09,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf 2026-02-10T11:41:09,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf 2026-02-10T11:41:09,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4 2026-02-10T11:41:09,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4 2026-02-10T11:41:09,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be 2026-02-10T11:41:09,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be 2026-02-10T11:41:09,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf 2026-02-10T11:41:09,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf 2026-02-10T11:41:09,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o 2026-02-10T11:41:09,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o 2026-02-10T11:41:09,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4 2026-02-10T11:41:09,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4 2026-02-10T11:41:09,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf 2026-02-10T11:41:09,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf 2026-02-10T11:41:09,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3 2026-02-10T11:41:09,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3 2026-02-10T11:41:09,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h 2026-02-10T11:41:09,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h 2026-02-10T11:41:09,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo 2026-02-10T11:41:09,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo 2026-02-10T11:41:09,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl 2026-02-10T11:41:09,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl 2026-02-10T11:41:09,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6 2026-02-10T11:41:09,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6 2026-02-10T11:41:09,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2 2026-02-10T11:41:09,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2 2026-02-10T11:41:09,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo 2026-02-10T11:41:09,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo 2026-02-10T11:41:09,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane 2026-02-10T11:41:09,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane 2026-02-10T11:41:09,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco 2026-02-10T11:41:09,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco 2026-02-10T11:41:09,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si 2026-02-10T11:41:09,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si 2026-02-10T11:41:09,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n 2026-02-10T11:41:09,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n 2026-02-10T11:41:09,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h 2026-02-10T11:41:09,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h 2026-02-10T11:41:09,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane 2026-02-10T11:41:09,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane 2026-02-10T11:41:09,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2 2026-02-10T11:41:09,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2 2026-02-10T11:41:09,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene 2026-02-10T11:41:09,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene 2026-02-10T11:41:09,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl 2026-02-10T11:41:09,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl 2026-02-10T11:41:09,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2 2026-02-10T11:41:09,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2 2026-02-10T11:41:09,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f 2026-02-10T11:41:09,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f 2026-02-10T11:41:09,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3 2026-02-10T11:41:09,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3 2026-02-10T11:41:09,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2 2026-02-10T11:41:09,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2 2026-02-10T11:41:09,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o 2026-02-10T11:41:09,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o 2026-02-10T11:41:09,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3 2026-02-10T11:41:09,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3 2026-02-10T11:41:09,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s 2026-02-10T11:41:09,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s 2026-02-10T11:41:09,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o 2026-02-10T11:41:09,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o 2026-02-10T11:41:09,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3 2026-02-10T11:41:09,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3 2026-02-10T11:41:09,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4 2026-02-10T11:41:09,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4 2026-02-10T11:41:09,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3 2026-02-10T11:41:09,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3 2026-02-10T11:41:09,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih 2026-02-10T11:41:09,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih 2026-02-10T11:41:09,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof 2026-02-10T11:41:09,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof 2026-02-10T11:41:09,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f 2026-02-10T11:41:09,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f 2026-02-10T11:41:09,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno 2026-02-10T11:41:09,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno 2026-02-10T11:41:09,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no 2026-02-10T11:41:09,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no 2026-02-10T11:41:09,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c 2026-02-10T11:41:09,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c 2026-02-10T11:41:09,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh 2026-02-10T11:41:09,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh 2026-02-10T11:41:09,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co 2026-02-10T11:41:09,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co 2026-02-10T11:41:09,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene 2026-02-10T11:41:09,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene 2026-02-10T11:41:09,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn 2026-02-10T11:41:09,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn 2026-02-10T11:41:09,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs 2026-02-10T11:41:09,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs 2026-02-10T11:41:09,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p 2026-02-10T11:41:09,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p 2026-02-10T11:41:09,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:41:09,298 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 2026-02-10T11:41:09,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch 2026-02-10T11:41:09,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch 2026-02-10T11:41:09,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3 2026-02-10T11:41:09,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3 2026-02-10T11:41:09,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh 2026-02-10T11:41:09,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh 2026-02-10T11:41:09,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2 2026-02-10T11:41:09,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2 2026-02-10T11:41:09,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2 2026-02-10T11:41:09,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2 2026-02-10T11:41:09,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f 2026-02-10T11:41:09,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f 2026-02-10T11:41:09,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2 2026-02-10T11:41:09,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2 2026-02-10T11:41:09,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs 2026-02-10T11:41:09,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs 2026-02-10T11:41:09,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi 2026-02-10T11:41:09,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi 2026-02-10T11:41:09,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl 2026-02-10T11:41:09,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl 2026-02-10T11:41:09,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2 2026-02-10T11:41:09,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2 2026-02-10T11:41:09,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene 2026-02-10T11:41:09,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene 2026-02-10T11:41:09,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo 2026-02-10T11:41:09,342 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 2026-02-10T11:41:09,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2 2026-02-10T11:41:09,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2 2026-02-10T11:41:09,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf 2026-02-10T11:41:09,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf 2026-02-10T11:41:09,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so 2026-02-10T11:41:09,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so 2026-02-10T11:41:09,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch 2026-02-10T11:41:09,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch 2026-02-10T11:41:09,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2 2026-02-10T11:41:09,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2 2026-02-10T11:41:09,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane 2026-02-10T11:41:09,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane 2026-02-10T11:41:09,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o 2026-02-10T11:41:09,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o 2026-02-10T11:41:09,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc 2026-02-10T11:41:09,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc 2026-02-10T11:41:09,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:41:09,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:41:09,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3 2026-02-10T11:41:09,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3 2026-02-10T11:41:09,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c 2026-02-10T11:41:09,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c 2026-02-10T11:41:09,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2 2026-02-10T11:41:09,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2 2026-02-10T11:41:09,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco 2026-02-10T11:41:09,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco 2026-02-10T11:41:09,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2 2026-02-10T11:41:09,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2 2026-02-10T11:41:09,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn 2026-02-10T11:41:09,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn 2026-02-10T11:41:09,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:41:09,400 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 2026-02-10T11:41:09,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f 2026-02-10T11:41:09,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f 2026-02-10T11:41:09,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn 2026-02-10T11:41:09,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn 2026-02-10T11:41:09,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co 2026-02-10T11:41:09,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co 2026-02-10T11:41:09,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:41:09,414 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 2026-02-10T11:41:09,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif 2026-02-10T11:41:09,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif 2026-02-10T11:41:09,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4 2026-02-10T11:41:09,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4 2026-02-10T11:41:09,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3 2026-02-10T11:41:09,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3 2026-02-10T11:41:09,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2 2026-02-10T11:41:09,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2 2026-02-10T11:41:09,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al 2026-02-10T11:41:09,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al 2026-02-10T11:41:09,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh 2026-02-10T11:41:09,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh 2026-02-10T11:41:09,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono 2026-02-10T11:41:09,446 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 2026-02-10T11:41:09,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn 2026-02-10T11:41:09,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn 2026-02-10T11:41:09,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo 2026-02-10T11:41:09,457 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 2026-02-10T11:41:09,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio 2026-02-10T11:41:09,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio 2026-02-10T11:41:09,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh 2026-02-10T11:41:09,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh 2026-02-10T11:41:09,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:41:09,470 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 2026-02-10T11:41:09,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch 2026-02-10T11:41:09,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch 2026-02-10T11:41:09,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl 2026-02-10T11:41:09,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl 2026-02-10T11:41:09,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn 2026-02-10T11:41:09,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn 2026-02-10T11:41:09,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2 2026-02-10T11:41:09,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2 2026-02-10T11:41:09,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07 2026-02-10T11:41:09,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07 2026-02-10T11:41:09,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36 2026-02-10T11:41:09,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36 2026-02-10T11:41:09,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02 2026-02-10T11:41:09,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02 2026-02-10T11:41:09,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12 2026-02-10T11:41:09,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12 2026-02-10T11:41:09,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27 2026-02-10T11:41:09,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27 2026-02-10T11:41:09,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18 2026-02-10T11:41:09,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18 2026-02-10T11:41:09,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34 2026-02-10T11:41:09,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34 2026-02-10T11:41:09,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13 2026-02-10T11:41:09,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13 2026-02-10T11:41:09,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38 2026-02-10T11:41:09,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38 2026-02-10T11:41:09,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2 2026-02-10T11:41:09,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2 2026-02-10T11:41:09,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH 2026-02-10T11:41:09,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH 2026-02-10T11:41:09,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2 2026-02-10T11:41:09,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2 2026-02-10T11:41:09,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05 2026-02-10T11:41:09,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05 2026-02-10T11:41:09,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20 2026-02-10T11:41:09,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20 2026-02-10T11:41:09,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01 2026-02-10T11:41:09,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01 2026-02-10T11:41:09,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08 2026-02-10T11:41:09,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08 2026-02-10T11:41:09,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41 2026-02-10T11:41:09,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41 2026-02-10T11:41:09,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4 2026-02-10T11:41:09,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4 2026-02-10T11:41:09,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2 2026-02-10T11:41:09,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2 2026-02-10T11:41:09,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04 2026-02-10T11:41:09,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04 2026-02-10T11:41:09,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16 2026-02-10T11:41:09,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16 2026-02-10T11:41:09,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4 2026-02-10T11:41:09,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4 2026-02-10T11:41:09,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2 2026-02-10T11:41:09,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2 2026-02-10T11:41:09,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25 2026-02-10T11:41:09,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25 2026-02-10T11:41:09,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30 2026-02-10T11:41:09,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30 2026-02-10T11:41:09,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH 2026-02-10T11:41:09,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH 2026-02-10T11:41:09,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43 2026-02-10T11:41:09,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43 2026-02-10T11:41:09,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2 2026-02-10T11:41:09,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2 2026-02-10T11:41:09,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09 2026-02-10T11:41:09,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09 2026-02-10T11:41:09,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37 2026-02-10T11:41:09,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37 2026-02-10T11:41:09,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3 2026-02-10T11:41:09,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3 2026-02-10T11:41:09,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22 2026-02-10T11:41:09,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22 2026-02-10T11:41:09,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23 2026-02-10T11:41:09,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23 2026-02-10T11:41:09,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2 2026-02-10T11:41:09,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2 2026-02-10T11:41:09,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10 2026-02-10T11:41:09,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10 2026-02-10T11:41:09,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06 2026-02-10T11:41:09,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06 2026-02-10T11:41:09,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2 2026-02-10T11:41:09,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2 2026-02-10T11:41:09,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28 2026-02-10T11:41:09,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28 2026-02-10T11:41:09,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26 2026-02-10T11:41:09,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26 2026-02-10T11:41:09,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40 2026-02-10T11:41:09,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40 2026-02-10T11:41:09,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11 2026-02-10T11:41:09,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11 2026-02-10T11:41:09,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32 2026-02-10T11:41:09,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32 2026-02-10T11:41:09,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2 2026-02-10T11:41:09,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2 2026-02-10T11:41:09,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24 2026-02-10T11:41:09,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24 2026-02-10T11:41:09,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15 2026-02-10T11:41:09,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15 2026-02-10T11:41:09,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03 2026-02-10T11:41:09,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03 2026-02-10T11:41:09,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17 2026-02-10T11:41:09,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17 2026-02-10T11:41:09,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21 2026-02-10T11:41:09,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21 2026-02-10T11:41:09,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3 2026-02-10T11:41:09,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3 2026-02-10T11:41:09,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42 2026-02-10T11:41:09,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42 2026-02-10T11:41:09,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39 2026-02-10T11:41:09,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39 2026-02-10T11:41:09,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35 2026-02-10T11:41:09,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35 2026-02-10T11:41:09,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14 2026-02-10T11:41:09,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14 2026-02-10T11:41:09,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19 2026-02-10T11:41:09,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19 2026-02-10T11:41:09,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33 2026-02-10T11:41:09,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33 2026-02-10T11:41:09,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2 2026-02-10T11:41:09,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2 2026-02-10T11:41:09,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29 2026-02-10T11:41:09,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29 2026-02-10T11:41:09,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31 2026-02-10T11:41:09,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31 2026-02-10T11:41:09,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z 2026-02-10T11:41:09,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z 2026-02-10T11:41:09,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b 2026-02-10T11:41:09,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b 2026-02-10T11:41:09,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e 2026-02-10T11:41:09,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e 2026-02-10T11:41:09,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d 2026-02-10T11:41:09,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d 2026-02-10T11:41:09,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m 2026-02-10T11:41:09,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m 2026-02-10T11:41:09,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b 2026-02-10T11:41:09,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b 2026-02-10T11:41:09,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f 2026-02-10T11:41:09,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f 2026-02-10T11:41:09,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a 2026-02-10T11:41:09,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a 2026-02-10T11:41:09,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b 2026-02-10T11:41:09,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b 2026-02-10T11:41:09,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b 2026-02-10T11:41:09,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b 2026-02-10T11:41:10,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h 2026-02-10T11:41:10,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h 2026-02-10T11:41:10,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g 2026-02-10T11:41:10,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g 2026-02-10T11:41:10,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p 2026-02-10T11:41:10,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p 2026-02-10T11:41:10,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p 2026-02-10T11:41:10,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p 2026-02-10T11:41:10,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a 2026-02-10T11:41:10,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a 2026-02-10T11:41:10,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p 2026-02-10T11:41:10,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p 2026-02-10T11:41:10,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d 2026-02-10T11:41:10,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d 2026-02-10T11:41:10,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a 2026-02-10T11:41:10,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a 2026-02-10T11:41:10,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a 2026-02-10T11:41:10,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a 2026-02-10T11:41:10,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c 2026-02-10T11:41:10,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c 2026-02-10T11:41:10,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p 2026-02-10T11:41:10,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p 2026-02-10T11:41:10,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa 2026-02-10T11:41:10,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa 2026-02-10T11:41:10,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a 2026-02-10T11:41:10,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a 2026-02-10T11:41:10,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a 2026-02-10T11:41:10,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a 2026-02-10T11:41:10,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:41:10,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:41:10,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:41:10,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:41:10,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:41:10,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:41:10,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:41:10,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:41:10,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:41:10,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:41:10,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:41:10,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:41:10,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:41:10,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:41:10,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:41:10,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:41:10,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:41:10,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:41:10,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:41:10,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:41:10,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:41:10,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:41:10,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2 2026-02-10T11:41:10,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2 2026-02-10T11:41:10,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:41:10,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:41:10,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:41:10,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:41:10,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:41:10,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:41:10,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:41:10,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:41:10,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:41:10,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:41:10,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:41:10,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:41:10,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:41:10,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:41:10,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:41:10,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:41:10,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:41:10,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:41:10,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:41:10,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:41:10,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:41:10,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:41:10,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:41:10,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:41:10,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2 2026-02-10T11:41:10,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2 2026-02-10T11:41:10,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:41:10,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:41:10,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:41:10,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:41:10,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:41:10,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:41:10,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:41:10,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:41:10,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:41:10,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:41:10,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:41:10,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:41:10,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:41:10,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:41:10,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:41:10,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:41:10,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:41:10,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:41:10,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:41:10,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:41:10,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:41:10,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:41:10,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:41:10,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:41:10,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:41:10,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:41:10,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:41:10,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:41:10,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:41:10,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:41:10,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b 2026-02-10T11:41:10,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b 2026-02-10T11:41:10,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b 2026-02-10T11:41:10,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b 2026-02-10T11:41:10,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c 2026-02-10T11:41:10,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c 2026-02-10T11:41:10,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a 2026-02-10T11:41:10,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a 2026-02-10T11:41:10,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b 2026-02-10T11:41:10,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b 2026-02-10T11:41:10,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c 2026-02-10T11:41:10,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c 2026-02-10T11:41:10,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b 2026-02-10T11:41:10,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b 2026-02-10T11:41:10,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c 2026-02-10T11:41:10,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c 2026-02-10T11:41:10,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a 2026-02-10T11:41:10,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a 2026-02-10T11:41:10,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d 2026-02-10T11:41:10,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d 2026-02-10T11:41:10,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a 2026-02-10T11:41:10,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a 2026-02-10T11:41:10,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b 2026-02-10T11:41:10,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b 2026-02-10T11:41:10,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b 2026-02-10T11:41:10,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b 2026-02-10T11:41:10,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d 2026-02-10T11:41:10,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d 2026-02-10T11:41:10,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a 2026-02-10T11:41:10,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a 2026-02-10T11:41:10,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a 2026-02-10T11:41:10,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a 2026-02-10T11:41:10,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b 2026-02-10T11:41:10,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b 2026-02-10T11:41:10,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a 2026-02-10T11:41:10,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a 2026-02-10T11:41:10,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b 2026-02-10T11:41:10,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b 2026-02-10T11:41:10,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a 2026-02-10T11:41:10,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a 2026-02-10T11:41:10,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a 2026-02-10T11:41:10,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a 2026-02-10T11:41:10,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b 2026-02-10T11:41:10,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b 2026-02-10T11:41:10,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b 2026-02-10T11:41:10,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b 2026-02-10T11:41:10,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a 2026-02-10T11:41:10,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a 2026-02-10T11:41:10,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a 2026-02-10T11:41:10,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a 2026-02-10T11:41:10,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:41:10,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:41:10,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:41:10,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:41:10,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:41:10,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:41:10,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:41:10,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:41:10,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:41:10,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:41:10,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:41:10,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:41:10,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:41:10,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:41:10,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:41:10,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:41:10,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:41:10,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:41:10,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:41:10,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:41:10,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:41:10,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:41:10,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:41:10,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:41:10,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:41:10,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:41:10,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:41:10,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:41:10,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:41:10,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:41:10,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:41:10,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:41:10,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:41:10,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:41:10,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:41:10,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:41:10,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:41:10,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:41:10,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:41:10,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:41:10,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:41:10,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:41:10,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:41:10,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:41:10,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:41:10,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:41:10,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:41:10,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:41:10,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:41:10,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:41:10,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:41:10,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:41:10,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:41:10,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:41:10,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:41:10,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:41:10,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:41:10,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:41:10,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:41:10,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:41:10,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:41:10,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:41:10,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:41:10,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:41:10,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:41:10,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:41:10,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:41:10,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:41:10,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:41:10,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:41:10,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:41:10,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:41:10,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:41:10,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:41:10,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:41:10,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:41:10,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:41:10,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:41:10,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:41:10,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:41:10,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:41:10,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:41:10,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:41:10,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:41:10,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:41:10,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:41:10,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:41:10,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:41:10,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:41:10,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:41:10,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:41:10,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:41:10,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:41:10,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:41:10,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:41:10,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:41:10,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:41:10,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:41:10,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:41:10,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:41:10,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:41:10,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:41:10,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:41:10,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:41:10,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:41:10,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:41:10,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:41:10,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:41:10,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:41:10,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:41:10,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:41:10,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:41:10,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:41:10,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:41:10,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:41:10,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:41:10,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:41:10,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:41:10,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:41:10,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:41:10,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:41:10,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:41:10,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:41:10,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:41:10,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:41:10,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:41:10,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:41:10,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:41:10,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:41:10,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:41:10,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:41:10,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:41:10,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3 2026-02-10T11:41:10,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3 2026-02-10T11:41:10,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3 2026-02-10T11:41:10,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3 2026-02-10T11:41:10,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:41:10,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:41:10,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:41:10,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:41:10,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3 2026-02-10T11:41:10,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3 2026-02-10T11:41:10,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:41:10,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:41:10,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3 2026-02-10T11:41:10,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3 2026-02-10T11:41:10,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:41:10,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:41:10,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:41:10,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:41:10,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut 2026-02-10T11:41:10,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut 2026-02-10T11:41:10,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F 2026-02-10T11:41:10,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F 2026-02-10T11:41:10,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H 2026-02-10T11:41:10,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H 2026-02-10T11:41:10,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2 2026-02-10T11:41:10,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2 2026-02-10T11:41:10,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3 2026-02-10T11:41:10,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3 2026-02-10T11:41:10,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3 2026-02-10T11:41:10,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3 2026-02-10T11:41:10,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3 2026-02-10T11:41:10,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3 2026-02-10T11:41:10,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz 2026-02-10T11:41:10,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz 2026-02-10T11:41:10,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:41:10,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:41:10,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch 2026-02-10T11:41:10,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch 2026-02-10T11:41:10,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2 2026-02-10T11:41:10,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2 2026-02-10T11:41:10,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1 2026-02-10T11:41:10,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1 2026-02-10T11:41:10,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3 2026-02-10T11:41:10,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3 2026-02-10T11:41:10,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2 2026-02-10T11:41:10,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2 2026-02-10T11:41:10,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2 2026-02-10T11:41:10,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2 2026-02-10T11:41:10,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e 2026-02-10T11:41:10,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e 2026-02-10T11:41:10,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e 2026-02-10T11:41:10,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e 2026-02-10T11:41:10,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3 2026-02-10T11:41:10,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3 2026-02-10T11:41:10,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3 2026-02-10T11:41:10,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3 2026-02-10T11:41:10,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e 2026-02-10T11:41:10,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e 2026-02-10T11:41:10,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1 2026-02-10T11:41:10,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1 2026-02-10T11:41:10,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1 2026-02-10T11:41:10,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1 2026-02-10T11:41:10,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2 2026-02-10T11:41:10,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2 2026-02-10T11:41:10,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3 2026-02-10T11:41:10,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3 2026-02-10T11:41:10,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e 2026-02-10T11:41:10,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e 2026-02-10T11:41:10,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5 2026-02-10T11:41:10,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5 2026-02-10T11:41:10,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int 2026-02-10T11:41:10,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int 2026-02-10T11:41:10,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1 2026-02-10T11:41:10,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1 2026-02-10T11:41:10,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p 2026-02-10T11:41:10,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p 2026-02-10T11:41:10,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr 2026-02-10T11:41:10,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr 2026-02-10T11:41:10,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1 2026-02-10T11:41:10,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1 2026-02-10T11:41:10,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2 2026-02-10T11:41:10,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2 2026-02-10T11:41:10,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p 2026-02-10T11:41:10,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p 2026-02-10T11:41:10,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me 2026-02-10T11:41:10,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me 2026-02-10T11:41:10,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene 2026-02-10T11:41:10,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene 2026-02-10T11:41:10,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2 2026-02-10T11:41:10,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2 2026-02-10T11:41:10,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6 2026-02-10T11:41:10,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6 2026-02-10T11:41:10,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e 2026-02-10T11:41:10,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e 2026-02-10T11:41:10,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e 2026-02-10T11:41:10,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e 2026-02-10T11:41:10,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4 2026-02-10T11:41:10,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4 2026-02-10T11:41:10,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3 2026-02-10T11:41:10,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3 2026-02-10T11:41:10,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1 2026-02-10T11:41:10,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1 2026-02-10T11:41:10,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1 2026-02-10T11:41:10,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1 2026-02-10T11:41:10,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3 2026-02-10T11:41:10,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3 2026-02-10T11:41:10,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e 2026-02-10T11:41:10,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e 2026-02-10T11:41:10,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2 2026-02-10T11:41:10,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2 2026-02-10T11:41:10,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1 2026-02-10T11:41:10,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1 2026-02-10T11:41:10,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e 2026-02-10T11:41:10,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e 2026-02-10T11:41:10,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2 2026-02-10T11:41:10,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2 2026-02-10T11:41:10,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1 2026-02-10T11:41:10,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1 2026-02-10T11:41:10,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e 2026-02-10T11:41:10,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e 2026-02-10T11:41:10,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e 2026-02-10T11:41:10,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e 2026-02-10T11:41:10,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25 2026-02-10T11:41:10,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25 2026-02-10T11:41:10,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52 2026-02-10T11:41:10,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52 2026-02-10T11:41:10,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45 2026-02-10T11:41:10,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45 2026-02-10T11:41:10,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45 2026-02-10T11:41:10,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45 2026-02-10T11:41:10,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51 2026-02-10T11:41:10,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51 2026-02-10T11:41:10,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40 2026-02-10T11:41:10,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40 2026-02-10T11:41:10,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44 2026-02-10T11:41:10,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44 2026-02-10T11:41:10,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60 2026-02-10T11:41:10,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60 2026-02-10T11:41:10,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60 2026-02-10T11:41:10,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60 2026-02-10T11:41:10,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56 2026-02-10T11:41:10,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56 2026-02-10T11:41:10,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43 2026-02-10T11:41:10,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43 2026-02-10T11:41:10,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21 2026-02-10T11:41:10,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21 2026-02-10T11:41:10,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44 2026-02-10T11:41:10,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44 2026-02-10T11:41:10,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29 2026-02-10T11:41:10,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29 2026-02-10T11:41:10,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26 2026-02-10T11:41:10,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26 2026-02-10T11:41:10,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22 2026-02-10T11:41:10,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22 2026-02-10T11:41:10,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57 2026-02-10T11:41:10,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57 2026-02-10T11:41:10,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26 2026-02-10T11:41:10,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26 2026-02-10T11:41:10,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20 2026-02-10T11:41:10,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20 2026-02-10T11:41:10,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22 2026-02-10T11:41:10,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22 2026-02-10T11:41:10,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43 2026-02-10T11:41:10,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43 2026-02-10T11:41:10,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52 2026-02-10T11:41:10,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52 2026-02-10T11:41:10,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47 2026-02-10T11:41:10,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47 2026-02-10T11:41:10,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47 2026-02-10T11:41:10,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47 2026-02-10T11:41:10,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28 2026-02-10T11:41:10,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28 2026-02-10T11:41:10,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49 2026-02-10T11:41:10,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49 2026-02-10T11:41:10,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48 2026-02-10T11:41:10,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48 2026-02-10T11:41:10,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49 2026-02-10T11:41:10,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49 2026-02-10T11:41:10,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48 2026-02-10T11:41:10,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48 2026-02-10T11:41:10,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20 2026-02-10T11:41:10,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20 2026-02-10T11:41:10,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46 2026-02-10T11:41:10,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46 2026-02-10T11:41:10,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51 2026-02-10T11:41:10,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51 2026-02-10T11:41:10,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40 2026-02-10T11:41:10,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40 2026-02-10T11:41:10,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46 2026-02-10T11:41:10,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46 2026-02-10T11:41:10,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25 2026-02-10T11:41:10,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25 2026-02-10T11:41:10,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56 2026-02-10T11:41:10,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56 2026-02-10T11:41:10,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:41:10,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:41:10,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1 2026-02-10T11:41:10,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1 2026-02-10T11:41:10,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2 2026-02-10T11:41:10,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2 2026-02-10T11:41:10,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1 2026-02-10T11:41:10,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1 2026-02-10T11:41:10,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic 2026-02-10T11:41:10,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic 2026-02-10T11:41:10,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64 2026-02-10T11:41:10,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64 2026-02-10T11:41:10,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr 2026-02-10T11:41:10,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr 2026-02-10T11:41:10,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr 2026-02-10T11:41:10,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr 2026-02-10T11:41:10,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A 2026-02-10T11:41:10,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A 2026-02-10T11:41:10,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo 2026-02-10T11:41:10,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo 2026-02-10T11:41:10,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A 2026-02-10T11:41:10,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A 2026-02-10T11:41:10,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh 2026-02-10T11:41:10,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh 2026-02-10T11:41:10,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2 2026-02-10T11:41:10,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2 2026-02-10T11:41:10,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc 2026-02-10T11:41:10,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc 2026-02-10T11:41:10,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe 2026-02-10T11:41:10,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe 2026-02-10T11:41:10,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4 2026-02-10T11:41:10,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4 2026-02-10T11:41:10,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74 2026-02-10T11:41:11,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74 2026-02-10T11:41:11,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:41:11,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:41:11,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:41:11,007 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 2026-02-10T11:41:11,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:41:11,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:41:11,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2 2026-02-10T11:41:11,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2 2026-02-10T11:41:11,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he 2026-02-10T11:41:11,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he 2026-02-10T11:41:11,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm 2026-02-10T11:41:11,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm 2026-02-10T11:41:11,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s 2026-02-10T11:41:11,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s 2026-02-10T11:41:11,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf 2026-02-10T11:41:11,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf 2026-02-10T11:41:11,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3 2026-02-10T11:41:11,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3 2026-02-10T11:41:11,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots 2026-02-10T11:41:11,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots 2026-02-10T11:41:11,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+ 2026-02-10T11:41:11,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+ 2026-02-10T11:41:11,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21 2026-02-10T11:41:11,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21 2026-02-10T11:41:11,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3 2026-02-10T11:41:11,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3 2026-02-10T11:41:11,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:41:11,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:41:11,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18 2026-02-10T11:41:11,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18 2026-02-10T11:41:11,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20 2026-02-10T11:41:11,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20 2026-02-10T11:41:11,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34 2026-02-10T11:41:11,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34 2026-02-10T11:41:11,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13 2026-02-10T11:41:11,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13 2026-02-10T11:41:11,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:41:11,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:41:11,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:41:11,081 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 2026-02-10T11:41:11,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:41:11,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:41:11,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b 2026-02-10T11:41:11,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b 2026-02-10T11:41:11,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O 2026-02-10T11:41:11,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O 2026-02-10T11:41:11,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2 2026-02-10T11:41:11,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2 2026-02-10T11:41:11,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76 2026-02-10T11:41:11,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76 2026-02-10T11:41:11,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A 2026-02-10T11:41:11,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A 2026-02-10T11:41:11,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2 2026-02-10T11:41:11,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2 2026-02-10T11:41:11,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+ 2026-02-10T11:41:11,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+ 2026-02-10T11:41:11,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:41:11,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:41:11,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs 2026-02-10T11:41:11,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs 2026-02-10T11:41:11,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B 2026-02-10T11:41:11,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B 2026-02-10T11:41:11,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17 2026-02-10T11:41:11,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17 2026-02-10T11:41:11,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48 2026-02-10T11:41:11,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48 2026-02-10T11:41:11,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1 2026-02-10T11:41:11,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1 2026-02-10T11:41:11,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p 2026-02-10T11:41:11,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p 2026-02-10T11:41:11,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45 2026-02-10T11:41:11,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45 2026-02-10T11:41:11,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH 2026-02-10T11:41:11,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH 2026-02-10T11:41:11,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20 2026-02-10T11:41:11,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20 2026-02-10T11:41:11,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o 2026-02-10T11:41:11,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o 2026-02-10T11:41:11,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh 2026-02-10T11:41:11,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh 2026-02-10T11:41:11,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be 2026-02-10T11:41:11,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be 2026-02-10T11:41:11,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20 2026-02-10T11:41:11,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20 2026-02-10T11:41:11,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3 2026-02-10T11:41:11,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3 2026-02-10T11:41:11,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1 2026-02-10T11:41:11,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1 2026-02-10T11:41:11,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S 2026-02-10T11:41:11,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S 2026-02-10T11:41:11,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80 2026-02-10T11:41:11,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80 2026-02-10T11:41:11,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf 2026-02-10T11:41:11,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf 2026-02-10T11:41:11,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14 2026-02-10T11:41:11,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14 2026-02-10T11:41:11,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59 2026-02-10T11:41:11,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59 2026-02-10T11:41:11,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3 2026-02-10T11:41:11,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3 2026-02-10T11:41:11,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02 2026-02-10T11:41:11,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02 2026-02-10T11:41:11,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:41:11,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:41:11,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A 2026-02-10T11:41:11,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A 2026-02-10T11:41:11,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl 2026-02-10T11:41:11,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl 2026-02-10T11:41:11,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73 2026-02-10T11:41:11,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73 2026-02-10T11:41:11,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo 2026-02-10T11:41:11,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo 2026-02-10T11:41:11,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco 2026-02-10T11:41:11,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco 2026-02-10T11:41:11,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao 2026-02-10T11:41:11,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao 2026-02-10T11:41:11,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B 2026-02-10T11:41:11,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B 2026-02-10T11:41:11,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si 2026-02-10T11:41:11,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si 2026-02-10T11:41:11,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A 2026-02-10T11:41:11,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A 2026-02-10T11:41:11,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p 2026-02-10T11:41:11,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p 2026-02-10T11:41:11,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:41:11,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:41:11,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:41:11,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:41:11,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h 2026-02-10T11:41:11,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h 2026-02-10T11:41:11,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:41:11,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:41:11,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca 2026-02-10T11:41:11,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca 2026-02-10T11:41:11,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2 2026-02-10T11:41:11,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2 2026-02-10T11:41:11,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4 2026-02-10T11:41:11,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4 2026-02-10T11:41:11,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:41:11,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:41:11,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2 2026-02-10T11:41:11,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2 2026-02-10T11:41:11,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne 2026-02-10T11:41:11,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne 2026-02-10T11:41:11,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A 2026-02-10T11:41:11,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A 2026-02-10T11:41:11,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B 2026-02-10T11:41:11,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B 2026-02-10T11:41:11,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25 2026-02-10T11:41:11,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25 2026-02-10T11:41:11,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20 2026-02-10T11:41:11,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20 2026-02-10T11:41:11,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s 2026-02-10T11:41:11,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s 2026-02-10T11:41:11,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B 2026-02-10T11:41:11,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B 2026-02-10T11:41:11,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4 2026-02-10T11:41:11,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4 2026-02-10T11:41:11,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10 2026-02-10T11:41:11,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10 2026-02-10T11:41:11,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:41:11,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:41:11,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k 2026-02-10T11:41:11,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k 2026-02-10T11:41:11,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg 2026-02-10T11:41:11,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg 2026-02-10T11:41:11,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67 2026-02-10T11:41:11,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67 2026-02-10T11:41:11,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:41:11,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:41:11,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78 2026-02-10T11:41:11,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78 2026-02-10T11:41:11,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43 2026-02-10T11:41:11,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43 2026-02-10T11:41:11,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts 2026-02-10T11:41:11,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts 2026-02-10T11:41:11,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A 2026-02-10T11:41:11,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A 2026-02-10T11:41:11,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3 2026-02-10T11:41:11,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3 2026-02-10T11:41:11,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25 2026-02-10T11:41:11,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25 2026-02-10T11:41:11,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:41:11,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:41:11,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf 2026-02-10T11:41:11,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf 2026-02-10T11:41:11,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2 2026-02-10T11:41:11,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2 2026-02-10T11:41:11,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH 2026-02-10T11:41:11,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH 2026-02-10T11:41:11,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a 2026-02-10T11:41:11,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a 2026-02-10T11:41:11,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:41:11,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:41:11,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B 2026-02-10T11:41:11,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B 2026-02-10T11:41:11,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47 2026-02-10T11:41:11,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47 2026-02-10T11:41:11,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4 2026-02-10T11:41:11,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4 2026-02-10T11:41:11,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+ 2026-02-10T11:41:11,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+ 2026-02-10T11:41:11,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6 2026-02-10T11:41:11,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6 2026-02-10T11:41:11,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B 2026-02-10T11:41:11,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B 2026-02-10T11:41:11,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f 2026-02-10T11:41:11,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f 2026-02-10T11:41:11,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:41:11,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:41:11,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A 2026-02-10T11:41:11,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A 2026-02-10T11:41:11,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s 2026-02-10T11:41:11,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s 2026-02-10T11:41:11,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar 2026-02-10T11:41:11,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar 2026-02-10T11:41:11,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2 2026-02-10T11:41:11,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2 2026-02-10T11:41:11,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:41:11,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:41:11,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s 2026-02-10T11:41:11,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s 2026-02-10T11:41:11,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl 2026-02-10T11:41:11,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl 2026-02-10T11:41:11,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40 2026-02-10T11:41:11,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40 2026-02-10T11:41:11,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:41:11,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:41:11,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b 2026-02-10T11:41:11,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b 2026-02-10T11:41:11,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:41:11,615 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 2026-02-10T11:41:11,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12 2026-02-10T11:41:11,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12 2026-02-10T11:41:11,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh 2026-02-10T11:41:11,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh 2026-02-10T11:41:11,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B 2026-02-10T11:41:11,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B 2026-02-10T11:41:11,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71 2026-02-10T11:41:11,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71 2026-02-10T11:41:11,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5 2026-02-10T11:41:11,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5 2026-02-10T11:41:11,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24 2026-02-10T11:41:11,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24 2026-02-10T11:41:11,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2 2026-02-10T11:41:11,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2 2026-02-10T11:41:11,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts 2026-02-10T11:41:11,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts 2026-02-10T11:41:11,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2 2026-02-10T11:41:11,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2 2026-02-10T11:41:11,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:41:11,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:41:11,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr 2026-02-10T11:41:11,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr 2026-02-10T11:41:11,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c 2026-02-10T11:41:11,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c 2026-02-10T11:41:11,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2 2026-02-10T11:41:11,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2 2026-02-10T11:41:11,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f 2026-02-10T11:41:11,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f 2026-02-10T11:41:11,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn 2026-02-10T11:41:11,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn 2026-02-10T11:41:11,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:41:11,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:41:11,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+ 2026-02-10T11:41:11,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+ 2026-02-10T11:41:11,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3 2026-02-10T11:41:11,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3 2026-02-10T11:41:11,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2 2026-02-10T11:41:11,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2 2026-02-10T11:41:11,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+ 2026-02-10T11:41:11,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+ 2026-02-10T11:41:11,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39 2026-02-10T11:41:11,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39 2026-02-10T11:41:11,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4 2026-02-10T11:41:11,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4 2026-02-10T11:41:11,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al 2026-02-10T11:41:11,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al 2026-02-10T11:41:11,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:41:11,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:41:11,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn 2026-02-10T11:41:11,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn 2026-02-10T11:41:11,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68 2026-02-10T11:41:11,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68 2026-02-10T11:41:11,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl 2026-02-10T11:41:11,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl 2026-02-10T11:41:11,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58 2026-02-10T11:41:11,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58 2026-02-10T11:41:11,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:41:11,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:41:11,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:41:11,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:41:11,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:41:11,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:41:11,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8 2026-02-10T11:41:11,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8 2026-02-10T11:41:11,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:41:11,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:41:11,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp 2026-02-10T11:41:11,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp 2026-02-10T11:41:11,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2 2026-02-10T11:41:11,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2 2026-02-10T11:41:11,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2 2026-02-10T11:41:11,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2 2026-02-10T11:41:11,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:41:11,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:41:11,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:41:11,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:41:11,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:41:11,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:41:11,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s 2026-02-10T11:41:11,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s 2026-02-10T11:41:11,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3 2026-02-10T11:41:11,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3 2026-02-10T11:41:11,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:41:11,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:41:11,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s 2026-02-10T11:41:11,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s 2026-02-10T11:41:11,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:41:11,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:41:11,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3 2026-02-10T11:41:11,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3 2026-02-10T11:41:11,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3 2026-02-10T11:41:11,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3 2026-02-10T11:41:11,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:41:11,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:41:11,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:41:11,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:41:11,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:41:11,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:41:11,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3 2026-02-10T11:41:11,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3 2026-02-10T11:41:11,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:41:11,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:41:11,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:41:11,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:41:11,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:41:11,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:41:11,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:41:11,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:41:11,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:41:11,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:41:11,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3 2026-02-10T11:41:11,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3 2026-02-10T11:41:11,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3 2026-02-10T11:41:11,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3 2026-02-10T11:41:11,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:41:11,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:41:11,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:41:11,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:41:11,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s 2026-02-10T11:41:11,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s 2026-02-10T11:41:11,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:41:11,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:41:11,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2 2026-02-10T11:41:11,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2 2026-02-10T11:41:11,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:41:11,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:41:11,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:41:11,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:41:11,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:41:11,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:41:11,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22 2026-02-10T11:41:11,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22 2026-02-10T11:41:11,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX 2026-02-10T11:41:11,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX 2026-02-10T11:41:11,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:41:11,905 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- 2026-02-10T11:41:11,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:41:11,914 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+ 2026-02-10T11:41:11,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:41:11,923 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- 2026-02-10T11:41:11,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg 2026-02-10T11:41:11,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg 2026-02-10T11:41:11,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T 2026-02-10T11:41:11,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T 2026-02-10T11:41:11,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt 2026-02-10T11:41:11,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt 2026-02-10T11:41:11,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG 2026-02-10T11:41:11,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG 2026-02-10T11:41:11,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:41:11,961 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+ 2026-02-10T11:41:11,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt 2026-02-10T11:41:11,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt 2026-02-10T11:41:11,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:41:11,982 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- 2026-02-10T11:41:11,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg 2026-02-10T11:41:11,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg 2026-02-10T11:41:11,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt 2026-02-10T11:41:11,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt 2026-02-10T11:41:11,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G 2026-02-10T11:41:11,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G 2026-02-10T11:41:12,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG 2026-02-10T11:41:12,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG 2026-02-10T11:41:12,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg 2026-02-10T11:41:12,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg 2026-02-10T11:41:12,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT 2026-02-10T11:41:12,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT 2026-02-10T11:41:12,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:41:12,014 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- 2026-02-10T11:41:12,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1 2026-02-10T11:41:12,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1 2026-02-10T11:41:12,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10 2026-02-10T11:41:12,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10 2026-02-10T11:41:12,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5 2026-02-10T11:41:12,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5 2026-02-10T11:41:12,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7 2026-02-10T11:41:12,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7 2026-02-10T11:41:12,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6 2026-02-10T11:41:12,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6 2026-02-10T11:41:12,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15 2026-02-10T11:41:12,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15 2026-02-10T11:41:12,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6 2026-02-10T11:41:12,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6 2026-02-10T11:41:12,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16 2026-02-10T11:41:12,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16 2026-02-10T11:41:12,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5 2026-02-10T11:41:12,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5 2026-02-10T11:41:12,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4 2026-02-10T11:41:12,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4 2026-02-10T11:41:12,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2 2026-02-10T11:41:12,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2 2026-02-10T11:41:12,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4 2026-02-10T11:41:12,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4 2026-02-10T11:41:12,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7 2026-02-10T11:41:12,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7 2026-02-10T11:41:12,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4 2026-02-10T11:41:12,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4 2026-02-10T11:41:12,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8 2026-02-10T11:41:12,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8 2026-02-10T11:41:12,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10 2026-02-10T11:41:12,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10 2026-02-10T11:41:12,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11 2026-02-10T11:41:12,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11 2026-02-10T11:41:12,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14 2026-02-10T11:41:12,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14 2026-02-10T11:41:12,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9 2026-02-10T11:41:12,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9 2026-02-10T11:41:12,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6 2026-02-10T11:41:12,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6 2026-02-10T11:41:12,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3 2026-02-10T11:41:12,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3 2026-02-10T11:41:12,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14 2026-02-10T11:41:12,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14 2026-02-10T11:41:12,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15 2026-02-10T11:41:12,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15 2026-02-10T11:41:12,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12 2026-02-10T11:41:12,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12 2026-02-10T11:41:12,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13 2026-02-10T11:41:12,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13 2026-02-10T11:41:12,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1 2026-02-10T11:41:12,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1 2026-02-10T11:41:12,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3 2026-02-10T11:41:12,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3 2026-02-10T11:41:12,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4 2026-02-10T11:41:12,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4 2026-02-10T11:41:12,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11 2026-02-10T11:41:12,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11 2026-02-10T11:41:12,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3 2026-02-10T11:41:12,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3 2026-02-10T11:41:12,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1 2026-02-10T11:41:12,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1 2026-02-10T11:41:12,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12 2026-02-10T11:41:12,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12 2026-02-10T11:41:12,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5 2026-02-10T11:41:12,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5 2026-02-10T11:41:12,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2 2026-02-10T11:41:12,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2 2026-02-10T11:41:12,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8 2026-02-10T11:41:12,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8 2026-02-10T11:41:12,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9 2026-02-10T11:41:12,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9 2026-02-10T11:41:12,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13 2026-02-10T11:41:12,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13 2026-02-10T11:41:12,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2 2026-02-10T11:41:12,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2 2026-02-10T11:41:12,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2 2026-02-10T11:41:12,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2 2026-02-10T11:41:12,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9 2026-02-10T11:41:12,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9 2026-02-10T11:41:12,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6 2026-02-10T11:41:12,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6 2026-02-10T11:41:12,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1 2026-02-10T11:41:12,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1 2026-02-10T11:41:12,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2 2026-02-10T11:41:12,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2 2026-02-10T11:41:12,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1 2026-02-10T11:41:12,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1 2026-02-10T11:41:12,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7 2026-02-10T11:41:12,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7 2026-02-10T11:41:12,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10 2026-02-10T11:41:12,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10 2026-02-10T11:41:12,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5 2026-02-10T11:41:12,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5 2026-02-10T11:41:12,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4 2026-02-10T11:41:12,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4 2026-02-10T11:41:12,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10 2026-02-10T11:41:12,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10 2026-02-10T11:41:12,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9 2026-02-10T11:41:12,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9 2026-02-10T11:41:12,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3 2026-02-10T11:41:12,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3 2026-02-10T11:41:12,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5 2026-02-10T11:41:12,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5 2026-02-10T11:41:12,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4 2026-02-10T11:41:12,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4 2026-02-10T11:41:12,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7 2026-02-10T11:41:12,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7 2026-02-10T11:41:12,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8 2026-02-10T11:41:12,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8 2026-02-10T11:41:12,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8 2026-02-10T11:41:12,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8 2026-02-10T11:41:12,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6 2026-02-10T11:41:12,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6 2026-02-10T11:41:12,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3 2026-02-10T11:41:12,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3 2026-02-10T11:41:12,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:41:12,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:41:12,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20 2026-02-10T11:41:12,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20 2026-02-10T11:41:12,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8 2026-02-10T11:41:12,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8 2026-02-10T11:41:12,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh 2026-02-10T11:41:12,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh 2026-02-10T11:41:12,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc 2026-02-10T11:41:12,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc 2026-02-10T11:41:12,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh- 2026-02-10T11:41:12,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh- 2026-02-10T11:41:12,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19 2026-02-10T11:41:12,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19 2026-02-10T11:41:12,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:41:12,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:41:12,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:41:12,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:41:12,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf 2026-02-10T11:41:12,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf 2026-02-10T11:41:12,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co 2026-02-10T11:41:12,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co 2026-02-10T11:41:12,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots 2026-02-10T11:41:12,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots 2026-02-10T11:41:12,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:41:12,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:41:12,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07 2026-02-10T11:41:12,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07 2026-02-10T11:41:12,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:41:12,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:41:12,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2 2026-02-10T11:41:12,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2 2026-02-10T11:41:12,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:41:12,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:41:12,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4 2026-02-10T11:41:12,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4 2026-02-10T11:41:12,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f- 2026-02-10T11:41:12,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f- 2026-02-10T11:41:12,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O 2026-02-10T11:41:12,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O 2026-02-10T11:41:12,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2 2026-02-10T11:41:12,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2 2026-02-10T11:41:12,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2 2026-02-10T11:41:12,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2 2026-02-10T11:41:12,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3 2026-02-10T11:41:12,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3 2026-02-10T11:41:12,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17 2026-02-10T11:41:12,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17 2026-02-10T11:41:12,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22 2026-02-10T11:41:12,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22 2026-02-10T11:41:12,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14 2026-02-10T11:41:12,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14 2026-02-10T11:41:12,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13 2026-02-10T11:41:12,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13 2026-02-10T11:41:12,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H 2026-02-10T11:41:12,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H 2026-02-10T11:41:12,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:41:12,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:41:12,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS 2026-02-10T11:41:12,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS 2026-02-10T11:41:12,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl- 2026-02-10T11:41:12,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl- 2026-02-10T11:41:12,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:41:12,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:41:12,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S 2026-02-10T11:41:12,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S 2026-02-10T11:41:12,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf 2026-02-10T11:41:12,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf 2026-02-10T11:41:12,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04 2026-02-10T11:41:12,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04 2026-02-10T11:41:12,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3 2026-02-10T11:41:12,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3 2026-02-10T11:41:12,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02 2026-02-10T11:41:12,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02 2026-02-10T11:41:12,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco 2026-02-10T11:41:12,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco 2026-02-10T11:41:12,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16 2026-02-10T11:41:12,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16 2026-02-10T11:41:12,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h 2026-02-10T11:41:12,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h 2026-02-10T11:41:12,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18 2026-02-10T11:41:12,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18 2026-02-10T11:41:12,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:41:12,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:41:12,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6 2026-02-10T11:41:12,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6 2026-02-10T11:41:12,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:41:12,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:41:12,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4 2026-02-10T11:41:12,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4 2026-02-10T11:41:12,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2 2026-02-10T11:41:12,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2 2026-02-10T11:41:12,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11 2026-02-10T11:41:12,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11 2026-02-10T11:41:12,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:41:12,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:41:12,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:41:12,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:41:12,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01 2026-02-10T11:41:12,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01 2026-02-10T11:41:12,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10 2026-02-10T11:41:12,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10 2026-02-10T11:41:12,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:41:12,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:41:12,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:41:12,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:41:12,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts 2026-02-10T11:41:12,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts 2026-02-10T11:41:12,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2 2026-02-10T11:41:12,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2 2026-02-10T11:41:12,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5 2026-02-10T11:41:12,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5 2026-02-10T11:41:12,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12 2026-02-10T11:41:12,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12 2026-02-10T11:41:12,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06 2026-02-10T11:41:12,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06 2026-02-10T11:41:12,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:41:12,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:41:12,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15 2026-02-10T11:41:12,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15 2026-02-10T11:41:12,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7 2026-02-10T11:41:12,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7 2026-02-10T11:41:12,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O 2026-02-10T11:41:12,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O 2026-02-10T11:41:12,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08 2026-02-10T11:41:12,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08 2026-02-10T11:41:12,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:41:12,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:41:12,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05 2026-02-10T11:41:12,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05 2026-02-10T11:41:12,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:41:12,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:41:12,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f 2026-02-10T11:41:12,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f 2026-02-10T11:41:12,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl 2026-02-10T11:41:12,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl 2026-02-10T11:41:12,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2 2026-02-10T11:41:12,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2 2026-02-10T11:41:12,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts 2026-02-10T11:41:12,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts 2026-02-10T11:41:12,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:41:12,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:41:12,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03 2026-02-10T11:41:12,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03 2026-02-10T11:41:12,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:41:12,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:41:12,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:41:12,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:41:12,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts 2026-02-10T11:41:12,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts 2026-02-10T11:41:12,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2 2026-02-10T11:41:12,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2 2026-02-10T11:41:12,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o 2026-02-10T11:41:12,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o 2026-02-10T11:41:12,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:41:12,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:41:12,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f 2026-02-10T11:41:12,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f 2026-02-10T11:41:12,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3 2026-02-10T11:41:12,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3 2026-02-10T11:41:12,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21 2026-02-10T11:41:12,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21 2026-02-10T11:41:12,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn 2026-02-10T11:41:12,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn 2026-02-10T11:41:12,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl 2026-02-10T11:41:12,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl 2026-02-10T11:41:12,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5 2026-02-10T11:41:12,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5 2026-02-10T11:41:12,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH 2026-02-10T11:41:12,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH 2026-02-10T11:41:12,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09 2026-02-10T11:41:12,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09 2026-02-10T11:41:12,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3 2026-02-10T11:41:12,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3 2026-02-10T11:41:12,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42 2026-02-10T11:41:12,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42 2026-02-10T11:41:12,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71 2026-02-10T11:41:12,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71 2026-02-10T11:41:12,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:41:12,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:41:12,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0 2026-02-10T11:41:12,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0 2026-02-10T11:41:12,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42 2026-02-10T11:41:12,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42 2026-02-10T11:41:12,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42 2026-02-10T11:41:12,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42 2026-02-10T11:41:12,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3 2026-02-10T11:41:12,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3 2026-02-10T11:41:12,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:41:12,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:41:12,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1 2026-02-10T11:41:12,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1 2026-02-10T11:41:12,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0 2026-02-10T11:41:12,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0 2026-02-10T11:41:12,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0 2026-02-10T11:41:12,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0 2026-02-10T11:41:12,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2 2026-02-10T11:41:12,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2 2026-02-10T11:41:12,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4 2026-02-10T11:41:12,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4 2026-02-10T11:41:12,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43 2026-02-10T11:41:12,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43 2026-02-10T11:41:12,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71 2026-02-10T11:41:12,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71 2026-02-10T11:41:12,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:41:12,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:41:12,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2 2026-02-10T11:41:12,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2 2026-02-10T11:41:12,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41 2026-02-10T11:41:12,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41 2026-02-10T11:41:12,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72 2026-02-10T11:41:12,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72 2026-02-10T11:41:12,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1 2026-02-10T11:41:12,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1 2026-02-10T11:41:12,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72 2026-02-10T11:41:12,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72 2026-02-10T11:41:12,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41 2026-02-10T11:41:12,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41 2026-02-10T11:41:12,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2 2026-02-10T11:41:12,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2 2026-02-10T11:41:12,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1 2026-02-10T11:41:12,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1 2026-02-10T11:41:12,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41 2026-02-10T11:41:12,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41 2026-02-10T11:41:12,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3 2026-02-10T11:41:12,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3 2026-02-10T11:41:12,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2 2026-02-10T11:41:12,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2 2026-02-10T11:41:12,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0 2026-02-10T11:41:12,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0 2026-02-10T11:41:12,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0 2026-02-10T11:41:12,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0 2026-02-10T11:41:12,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2 2026-02-10T11:41:12,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2 2026-02-10T11:41:12,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A 2026-02-10T11:41:12,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A 2026-02-10T11:41:12,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B 2026-02-10T11:41:12,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B 2026-02-10T11:41:12,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B 2026-02-10T11:41:12,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B 2026-02-10T11:41:12,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A 2026-02-10T11:41:12,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A 2026-02-10T11:41:12,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07 2026-02-10T11:41:12,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07 2026-02-10T11:41:12,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A 2026-02-10T11:41:12,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A 2026-02-10T11:41:12,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A 2026-02-10T11:41:12,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A 2026-02-10T11:41:12,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B 2026-02-10T11:41:12,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B 2026-02-10T11:41:12,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A 2026-02-10T11:41:12,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A 2026-02-10T11:41:12,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A 2026-02-10T11:41:12,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A 2026-02-10T11:41:12,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B 2026-02-10T11:41:12,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B 2026-02-10T11:41:12,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B 2026-02-10T11:41:12,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B 2026-02-10T11:41:12,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36 2026-02-10T11:41:12,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36 2026-02-10T11:41:12,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B 2026-02-10T11:41:13,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B 2026-02-10T11:41:13,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02 2026-02-10T11:41:13,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02 2026-02-10T11:41:13,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B 2026-02-10T11:41:13,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B 2026-02-10T11:41:13,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A 2026-02-10T11:41:13,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A 2026-02-10T11:41:13,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A 2026-02-10T11:41:13,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A 2026-02-10T11:41:13,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B 2026-02-10T11:41:13,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B 2026-02-10T11:41:13,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64 2026-02-10T11:41:13,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64 2026-02-10T11:41:13,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A 2026-02-10T11:41:13,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A 2026-02-10T11:41:13,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12 2026-02-10T11:41:13,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12 2026-02-10T11:41:13,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A 2026-02-10T11:41:13,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A 2026-02-10T11:41:13,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A 2026-02-10T11:41:13,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A 2026-02-10T11:41:13,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A 2026-02-10T11:41:13,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A 2026-02-10T11:41:13,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B 2026-02-10T11:41:13,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B 2026-02-10T11:41:13,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B 2026-02-10T11:41:13,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B 2026-02-10T11:41:13,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B 2026-02-10T11:41:13,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B 2026-02-10T11:41:13,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A 2026-02-10T11:41:13,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A 2026-02-10T11:41:13,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27 2026-02-10T11:41:13,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27 2026-02-10T11:41:13,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A 2026-02-10T11:41:13,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A 2026-02-10T11:41:13,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18 2026-02-10T11:41:13,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18 2026-02-10T11:41:13,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B 2026-02-10T11:41:13,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B 2026-02-10T11:41:13,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A 2026-02-10T11:41:13,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A 2026-02-10T11:41:13,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A 2026-02-10T11:41:13,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A 2026-02-10T11:41:13,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34 2026-02-10T11:41:13,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34 2026-02-10T11:41:13,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13 2026-02-10T11:41:13,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13 2026-02-10T11:41:13,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A 2026-02-10T11:41:13,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A 2026-02-10T11:41:13,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62 2026-02-10T11:41:13,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62 2026-02-10T11:41:13,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A 2026-02-10T11:41:13,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A 2026-02-10T11:41:13,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B 2026-02-10T11:41:13,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B 2026-02-10T11:41:13,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B 2026-02-10T11:41:13,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B 2026-02-10T11:41:13,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A 2026-02-10T11:41:13,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A 2026-02-10T11:41:13,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B 2026-02-10T11:41:13,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B 2026-02-10T11:41:13,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A 2026-02-10T11:41:13,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A 2026-02-10T11:41:13,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A 2026-02-10T11:41:13,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A 2026-02-10T11:41:13,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B 2026-02-10T11:41:13,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B 2026-02-10T11:41:13,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48 2026-02-10T11:41:13,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48 2026-02-10T11:41:13,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B 2026-02-10T11:41:13,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B 2026-02-10T11:41:13,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45 2026-02-10T11:41:13,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45 2026-02-10T11:41:13,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46 2026-02-10T11:41:13,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46 2026-02-10T11:41:13,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B 2026-02-10T11:41:13,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B 2026-02-10T11:41:13,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A 2026-02-10T11:41:13,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A 2026-02-10T11:41:13,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66 2026-02-10T11:41:13,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66 2026-02-10T11:41:13,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B 2026-02-10T11:41:13,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B 2026-02-10T11:41:13,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38 2026-02-10T11:41:13,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38 2026-02-10T11:41:13,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49 2026-02-10T11:41:13,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49 2026-02-10T11:41:13,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A 2026-02-10T11:41:13,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A 2026-02-10T11:41:13,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A 2026-02-10T11:41:13,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A 2026-02-10T11:41:13,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A 2026-02-10T11:41:13,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A 2026-02-10T11:41:13,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05 2026-02-10T11:41:13,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05 2026-02-10T11:41:13,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20 2026-02-10T11:41:13,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20 2026-02-10T11:41:13,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01 2026-02-10T11:41:13,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01 2026-02-10T11:41:13,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A 2026-02-10T11:41:13,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A 2026-02-10T11:41:13,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55 2026-02-10T11:41:13,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55 2026-02-10T11:41:13,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A 2026-02-10T11:41:13,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A 2026-02-10T11:41:13,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61 2026-02-10T11:41:13,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61 2026-02-10T11:41:13,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B 2026-02-10T11:41:13,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B 2026-02-10T11:41:13,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A 2026-02-10T11:41:13,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A 2026-02-10T11:41:13,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B 2026-02-10T11:41:13,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B 2026-02-10T11:41:13,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59 2026-02-10T11:41:13,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59 2026-02-10T11:41:13,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08 2026-02-10T11:41:13,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08 2026-02-10T11:41:13,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B 2026-02-10T11:41:13,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B 2026-02-10T11:41:13,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B 2026-02-10T11:41:13,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B 2026-02-10T11:41:13,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A 2026-02-10T11:41:13,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A 2026-02-10T11:41:13,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B 2026-02-10T11:41:13,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B 2026-02-10T11:41:13,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A 2026-02-10T11:41:13,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A 2026-02-10T11:41:13,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B 2026-02-10T11:41:13,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B 2026-02-10T11:41:13,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41 2026-02-10T11:41:13,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41 2026-02-10T11:41:13,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63 2026-02-10T11:41:13,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63 2026-02-10T11:41:13,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B 2026-02-10T11:41:13,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B 2026-02-10T11:41:13,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B 2026-02-10T11:41:13,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B 2026-02-10T11:41:13,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B 2026-02-10T11:41:13,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B 2026-02-10T11:41:13,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B 2026-02-10T11:41:13,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B 2026-02-10T11:41:13,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04 2026-02-10T11:41:13,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04 2026-02-10T11:41:13,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A 2026-02-10T11:41:13,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A 2026-02-10T11:41:13,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A 2026-02-10T11:41:13,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A 2026-02-10T11:41:13,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16 2026-02-10T11:41:13,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16 2026-02-10T11:41:13,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A 2026-02-10T11:41:13,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A 2026-02-10T11:41:13,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B 2026-02-10T11:41:13,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B 2026-02-10T11:41:13,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B 2026-02-10T11:41:13,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B 2026-02-10T11:41:13,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A 2026-02-10T11:41:13,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A 2026-02-10T11:41:13,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B 2026-02-10T11:41:13,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B 2026-02-10T11:41:13,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A 2026-02-10T11:41:13,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A 2026-02-10T11:41:13,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B 2026-02-10T11:41:13,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B 2026-02-10T11:41:13,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A 2026-02-10T11:41:13,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A 2026-02-10T11:41:13,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44 2026-02-10T11:41:13,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44 2026-02-10T11:41:13,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A 2026-02-10T11:41:13,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A 2026-02-10T11:41:13,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B 2026-02-10T11:41:13,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B 2026-02-10T11:41:13,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A 2026-02-10T11:41:13,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A 2026-02-10T11:41:13,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25 2026-02-10T11:41:13,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25 2026-02-10T11:41:13,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30 2026-02-10T11:41:13,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30 2026-02-10T11:41:13,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54 2026-02-10T11:41:13,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54 2026-02-10T11:41:13,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B 2026-02-10T11:41:13,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B 2026-02-10T11:41:13,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B 2026-02-10T11:41:13,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B 2026-02-10T11:41:13,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A 2026-02-10T11:41:13,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A 2026-02-10T11:41:13,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B 2026-02-10T11:41:13,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B 2026-02-10T11:41:13,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B 2026-02-10T11:41:13,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B 2026-02-10T11:41:13,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B 2026-02-10T11:41:13,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B 2026-02-10T11:41:13,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A 2026-02-10T11:41:13,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A 2026-02-10T11:41:13,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B 2026-02-10T11:41:13,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B 2026-02-10T11:41:13,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53 2026-02-10T11:41:13,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53 2026-02-10T11:41:13,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B 2026-02-10T11:41:13,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B 2026-02-10T11:41:13,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B 2026-02-10T11:41:13,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B 2026-02-10T11:41:13,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B 2026-02-10T11:41:13,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B 2026-02-10T11:41:13,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43 2026-02-10T11:41:13,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43 2026-02-10T11:41:13,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57 2026-02-10T11:41:13,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57 2026-02-10T11:41:13,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B 2026-02-10T11:41:13,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B 2026-02-10T11:41:13,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56 2026-02-10T11:41:13,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56 2026-02-10T11:41:13,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09 2026-02-10T11:41:13,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09 2026-02-10T11:41:13,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37 2026-02-10T11:41:13,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37 2026-02-10T11:41:13,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22 2026-02-10T11:41:13,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22 2026-02-10T11:41:13,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A 2026-02-10T11:41:13,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A 2026-02-10T11:41:13,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A 2026-02-10T11:41:13,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A 2026-02-10T11:41:13,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A 2026-02-10T11:41:13,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A 2026-02-10T11:41:13,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A 2026-02-10T11:41:13,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A 2026-02-10T11:41:13,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23 2026-02-10T11:41:13,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23 2026-02-10T11:41:13,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B 2026-02-10T11:41:13,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B 2026-02-10T11:41:13,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A 2026-02-10T11:41:13,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A 2026-02-10T11:41:13,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A 2026-02-10T11:41:13,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A 2026-02-10T11:41:13,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A 2026-02-10T11:41:13,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A 2026-02-10T11:41:13,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A 2026-02-10T11:41:13,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A 2026-02-10T11:41:13,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A 2026-02-10T11:41:13,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A 2026-02-10T11:41:13,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B 2026-02-10T11:41:13,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B 2026-02-10T11:41:13,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A 2026-02-10T11:41:13,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A 2026-02-10T11:41:13,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10 2026-02-10T11:41:13,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10 2026-02-10T11:41:13,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47 2026-02-10T11:41:13,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47 2026-02-10T11:41:13,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06 2026-02-10T11:41:13,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06 2026-02-10T11:41:13,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28 2026-02-10T11:41:13,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28 2026-02-10T11:41:13,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B 2026-02-10T11:41:13,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B 2026-02-10T11:41:13,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26 2026-02-10T11:41:13,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26 2026-02-10T11:41:13,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A 2026-02-10T11:41:13,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A 2026-02-10T11:41:13,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A 2026-02-10T11:41:13,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A 2026-02-10T11:41:13,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A 2026-02-10T11:41:13,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A 2026-02-10T11:41:13,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40 2026-02-10T11:41:13,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40 2026-02-10T11:41:13,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50 2026-02-10T11:41:13,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50 2026-02-10T11:41:13,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A 2026-02-10T11:41:13,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A 2026-02-10T11:41:13,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B 2026-02-10T11:41:13,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B 2026-02-10T11:41:13,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51 2026-02-10T11:41:13,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51 2026-02-10T11:41:13,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B 2026-02-10T11:41:13,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B 2026-02-10T11:41:13,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11 2026-02-10T11:41:13,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11 2026-02-10T11:41:13,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32 2026-02-10T11:41:13,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32 2026-02-10T11:41:13,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B 2026-02-10T11:41:13,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B 2026-02-10T11:41:13,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A 2026-02-10T11:41:13,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A 2026-02-10T11:41:13,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B 2026-02-10T11:41:13,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B 2026-02-10T11:41:13,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A 2026-02-10T11:41:13,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A 2026-02-10T11:41:13,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24 2026-02-10T11:41:13,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24 2026-02-10T11:41:13,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A 2026-02-10T11:41:13,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A 2026-02-10T11:41:13,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15 2026-02-10T11:41:13,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15 2026-02-10T11:41:13,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B 2026-02-10T11:41:13,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B 2026-02-10T11:41:13,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B 2026-02-10T11:41:13,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B 2026-02-10T11:41:13,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B 2026-02-10T11:41:13,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B 2026-02-10T11:41:13,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03 2026-02-10T11:41:13,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03 2026-02-10T11:41:13,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A 2026-02-10T11:41:13,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A 2026-02-10T11:41:13,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17 2026-02-10T11:41:13,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17 2026-02-10T11:41:13,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B 2026-02-10T11:41:13,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B 2026-02-10T11:41:13,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B 2026-02-10T11:41:13,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B 2026-02-10T11:41:13,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21 2026-02-10T11:41:13,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21 2026-02-10T11:41:13,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A 2026-02-10T11:41:13,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A 2026-02-10T11:41:13,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A 2026-02-10T11:41:13,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A 2026-02-10T11:41:13,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B 2026-02-10T11:41:13,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B 2026-02-10T11:41:13,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B 2026-02-10T11:41:13,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B 2026-02-10T11:41:13,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B 2026-02-10T11:41:13,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B 2026-02-10T11:41:13,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60 2026-02-10T11:41:13,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60 2026-02-10T11:41:13,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A 2026-02-10T11:41:13,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A 2026-02-10T11:41:13,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52 2026-02-10T11:41:13,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52 2026-02-10T11:41:13,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42 2026-02-10T11:41:13,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42 2026-02-10T11:41:13,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A 2026-02-10T11:41:13,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A 2026-02-10T11:41:13,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39 2026-02-10T11:41:13,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39 2026-02-10T11:41:13,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35 2026-02-10T11:41:13,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35 2026-02-10T11:41:13,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B 2026-02-10T11:41:13,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B 2026-02-10T11:41:13,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14 2026-02-10T11:41:13,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14 2026-02-10T11:41:13,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B 2026-02-10T11:41:13,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B 2026-02-10T11:41:13,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B 2026-02-10T11:41:13,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B 2026-02-10T11:41:13,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19 2026-02-10T11:41:13,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19 2026-02-10T11:41:13,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33 2026-02-10T11:41:13,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33 2026-02-10T11:41:13,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A 2026-02-10T11:41:13,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A 2026-02-10T11:41:13,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B 2026-02-10T11:41:13,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B 2026-02-10T11:41:13,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B 2026-02-10T11:41:13,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B 2026-02-10T11:41:13,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65 2026-02-10T11:41:13,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65 2026-02-10T11:41:13,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58 2026-02-10T11:41:13,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58 2026-02-10T11:41:13,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29 2026-02-10T11:41:13,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29 2026-02-10T11:41:13,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A 2026-02-10T11:41:13,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A 2026-02-10T11:41:13,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B 2026-02-10T11:41:13,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B 2026-02-10T11:41:13,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A 2026-02-10T11:41:13,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A 2026-02-10T11:41:13,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B 2026-02-10T11:41:13,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B 2026-02-10T11:41:13,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A 2026-02-10T11:41:13,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A 2026-02-10T11:41:13,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31 2026-02-10T11:41:13,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31 2026-02-10T11:41:13,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228 2026-02-10T11:41:13,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228 2026-02-10T11:41:13,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A 2026-02-10T11:41:13,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A 2026-02-10T11:41:13,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A 2026-02-10T11:41:13,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A 2026-02-10T11:41:13,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A 2026-02-10T11:41:13,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A 2026-02-10T11:41:13,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231 2026-02-10T11:41:13,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231 2026-02-10T11:41:13,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214 2026-02-10T11:41:13,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214 2026-02-10T11:41:13,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212 2026-02-10T11:41:13,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212 2026-02-10T11:41:13,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230 2026-02-10T11:41:13,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230 2026-02-10T11:41:13,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B 2026-02-10T11:41:13,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B 2026-02-10T11:41:13,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187 2026-02-10T11:41:13,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187 2026-02-10T11:41:13,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147 2026-02-10T11:41:13,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147 2026-02-10T11:41:13,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213 2026-02-10T11:41:13,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213 2026-02-10T11:41:13,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B 2026-02-10T11:41:13,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B 2026-02-10T11:41:13,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A 2026-02-10T11:41:13,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A 2026-02-10T11:41:13,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A 2026-02-10T11:41:13,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A 2026-02-10T11:41:13,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A 2026-02-10T11:41:13,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A 2026-02-10T11:41:13,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B 2026-02-10T11:41:13,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B 2026-02-10T11:41:13,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A 2026-02-10T11:41:13,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A 2026-02-10T11:41:13,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A 2026-02-10T11:41:13,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A 2026-02-10T11:41:13,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148 2026-02-10T11:41:13,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148 2026-02-10T11:41:13,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150 2026-02-10T11:41:13,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150 2026-02-10T11:41:13,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229 2026-02-10T11:41:13,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229 2026-02-10T11:41:13,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B 2026-02-10T11:41:13,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B 2026-02-10T11:41:13,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B 2026-02-10T11:41:13,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B 2026-02-10T11:41:13,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B 2026-02-10T11:41:13,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B 2026-02-10T11:41:13,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A 2026-02-10T11:41:13,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A 2026-02-10T11:41:13,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008 2026-02-10T11:41:13,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008 2026-02-10T11:41:13,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B 2026-02-10T11:41:13,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B 2026-02-10T11:41:13,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202 2026-02-10T11:41:13,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202 2026-02-10T11:41:13,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B 2026-02-10T11:41:13,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B 2026-02-10T11:41:14,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152 2026-02-10T11:41:14,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152 2026-02-10T11:41:14,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A 2026-02-10T11:41:14,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A 2026-02-10T11:41:14,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B 2026-02-10T11:41:14,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B 2026-02-10T11:41:14,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227 2026-02-10T11:41:14,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227 2026-02-10T11:41:14,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A 2026-02-10T11:41:14,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A 2026-02-10T11:41:14,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A 2026-02-10T11:41:14,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A 2026-02-10T11:41:14,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B 2026-02-10T11:41:14,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B 2026-02-10T11:41:14,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B 2026-02-10T11:41:14,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B 2026-02-10T11:41:14,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A 2026-02-10T11:41:14,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A 2026-02-10T11:41:14,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B 2026-02-10T11:41:14,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B 2026-02-10T11:41:14,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144 2026-02-10T11:41:14,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144 2026-02-10T11:41:14,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B 2026-02-10T11:41:14,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B 2026-02-10T11:41:14,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B 2026-02-10T11:41:14,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B 2026-02-10T11:41:14,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A 2026-02-10T11:41:14,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A 2026-02-10T11:41:14,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A 2026-02-10T11:41:14,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A 2026-02-10T11:41:14,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B 2026-02-10T11:41:14,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B 2026-02-10T11:41:14,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A 2026-02-10T11:41:14,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A 2026-02-10T11:41:14,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B 2026-02-10T11:41:14,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B 2026-02-10T11:41:14,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5 2026-02-10T11:41:14,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5 2026-02-10T11:41:14,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:41:14,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:41:14,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:41:14,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:41:14,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:41:14,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:41:14,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op 2026-02-10T11:41:14,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op 2026-02-10T11:41:14,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:41:14,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:41:14,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:41:14,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:41:14,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm 2026-02-10T11:41:14,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm 2026-02-10T11:41:14,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:41:14,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:41:14,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c 2026-02-10T11:41:14,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c 2026-02-10T11:41:14,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:41:14,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:41:14,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:41:14,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:41:14,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:41:14,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:41:14,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O 2026-02-10T11:41:14,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O 2026-02-10T11:41:14,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:41:14,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:41:14,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:41:14,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:41:14,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es 2026-02-10T11:41:14,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es 2026-02-10T11:41:14,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:41:14,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:41:14,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:41:14,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:41:14,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:41:14,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:41:14,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b 2026-02-10T11:41:14,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b 2026-02-10T11:41:14,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4 2026-02-10T11:41:14,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4 2026-02-10T11:41:14,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:41:14,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:41:14,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3 2026-02-10T11:41:14,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3 2026-02-10T11:41:14,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6 2026-02-10T11:41:14,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6 2026-02-10T11:41:14,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:41:14,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:41:14,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20 2026-02-10T11:41:14,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20 2026-02-10T11:41:14,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:41:14,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:41:14,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2 2026-02-10T11:41:14,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2 2026-02-10T11:41:14,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:41:14,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:41:14,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18 2026-02-10T11:41:14,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18 2026-02-10T11:41:14,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n 2026-02-10T11:41:14,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n 2026-02-10T11:41:14,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o 2026-02-10T11:41:14,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o 2026-02-10T11:41:14,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24 2026-02-10T11:41:14,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24 2026-02-10T11:41:14,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si- 2026-02-10T11:41:14,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si- 2026-02-10T11:41:14,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15 2026-02-10T11:41:14,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15 2026-02-10T11:41:14,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n 2026-02-10T11:41:14,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n 2026-02-10T11:41:14,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21 2026-02-10T11:41:14,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21 2026-02-10T11:41:14,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17 2026-02-10T11:41:14,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17 2026-02-10T11:41:14,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n 2026-02-10T11:41:14,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n 2026-02-10T11:41:14,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p- 2026-02-10T11:41:14,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p- 2026-02-10T11:41:14,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13 2026-02-10T11:41:14,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13 2026-02-10T11:41:14,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n 2026-02-10T11:41:14,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n 2026-02-10T11:41:14,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n 2026-02-10T11:41:14,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n 2026-02-10T11:41:14,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n 2026-02-10T11:41:14,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n 2026-02-10T11:41:14,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22 2026-02-10T11:41:14,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22 2026-02-10T11:41:14,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n 2026-02-10T11:41:14,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n 2026-02-10T11:41:14,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14 2026-02-10T11:41:14,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14 2026-02-10T11:41:14,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f 2026-02-10T11:41:14,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f 2026-02-10T11:41:14,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n 2026-02-10T11:41:14,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n 2026-02-10T11:41:14,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n 2026-02-10T11:41:14,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n 2026-02-10T11:41:14,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n 2026-02-10T11:41:14,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n 2026-02-10T11:41:14,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8 2026-02-10T11:41:14,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8 2026-02-10T11:41:14,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11 2026-02-10T11:41:14,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11 2026-02-10T11:41:14,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20 2026-02-10T11:41:14,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20 2026-02-10T11:41:14,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23 2026-02-10T11:41:14,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23 2026-02-10T11:41:14,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si 2026-02-10T11:41:14,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si 2026-02-10T11:41:14,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25 2026-02-10T11:41:14,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25 2026-02-10T11:41:14,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n 2026-02-10T11:41:14,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n 2026-02-10T11:41:14,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9 2026-02-10T11:41:14,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9 2026-02-10T11:41:14,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s 2026-02-10T11:41:14,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s 2026-02-10T11:41:14,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12 2026-02-10T11:41:14,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12 2026-02-10T11:41:14,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n 2026-02-10T11:41:14,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n 2026-02-10T11:41:14,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c 2026-02-10T11:41:14,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c 2026-02-10T11:41:14,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n 2026-02-10T11:41:14,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n 2026-02-10T11:41:14,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n 2026-02-10T11:41:14,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n 2026-02-10T11:41:14,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl 2026-02-10T11:41:14,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl 2026-02-10T11:41:14,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19 2026-02-10T11:41:14,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19 2026-02-10T11:41:14,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n 2026-02-10T11:41:14,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n 2026-02-10T11:41:14,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10 2026-02-10T11:41:14,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10 2026-02-10T11:41:14,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:41:14,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:41:14,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16 2026-02-10T11:41:14,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16 2026-02-10T11:41:14,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p 2026-02-10T11:41:14,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p 2026-02-10T11:41:14,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c- 2026-02-10T11:41:14,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c- 2026-02-10T11:41:14,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f- 2026-02-10T11:41:14,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f- 2026-02-10T11:41:14,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n 2026-02-10T11:41:14,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n 2026-02-10T11:41:14,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n 2026-02-10T11:41:14,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n 2026-02-10T11:41:14,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o- 2026-02-10T11:41:14,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o- 2026-02-10T11:41:14,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n 2026-02-10T11:41:14,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n 2026-02-10T11:41:14,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s- 2026-02-10T11:41:14,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s- 2026-02-10T11:41:14,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b 2026-02-10T11:41:14,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b 2026-02-10T11:41:14,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b 2026-02-10T11:41:14,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b 2026-02-10T11:41:14,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a 2026-02-10T11:41:14,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a 2026-02-10T11:41:14,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07 2026-02-10T11:41:14,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07 2026-02-10T11:41:14,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b 2026-02-10T11:41:14,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b 2026-02-10T11:41:14,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a 2026-02-10T11:41:14,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a 2026-02-10T11:41:14,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b 2026-02-10T11:41:14,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b 2026-02-10T11:41:14,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02 2026-02-10T11:41:14,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02 2026-02-10T11:41:14,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12 2026-02-10T11:41:14,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12 2026-02-10T11:41:14,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b 2026-02-10T11:41:14,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b 2026-02-10T11:41:14,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a 2026-02-10T11:41:14,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a 2026-02-10T11:41:14,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a 2026-02-10T11:41:14,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a 2026-02-10T11:41:14,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b 2026-02-10T11:41:14,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b 2026-02-10T11:41:14,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b 2026-02-10T11:41:14,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b 2026-02-10T11:41:14,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18 2026-02-10T11:41:14,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18 2026-02-10T11:41:14,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13 2026-02-10T11:41:14,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13 2026-02-10T11:41:14,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a 2026-02-10T11:41:14,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a 2026-02-10T11:41:14,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a 2026-02-10T11:41:14,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a 2026-02-10T11:41:14,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a 2026-02-10T11:41:14,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a 2026-02-10T11:41:14,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b 2026-02-10T11:41:14,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b 2026-02-10T11:41:14,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05 2026-02-10T11:41:14,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05 2026-02-10T11:41:14,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20 2026-02-10T11:41:14,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20 2026-02-10T11:41:14,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01 2026-02-10T11:41:14,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01 2026-02-10T11:41:14,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a 2026-02-10T11:41:14,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a 2026-02-10T11:41:14,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a 2026-02-10T11:41:14,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a 2026-02-10T11:41:15,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b 2026-02-10T11:41:15,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b 2026-02-10T11:41:15,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b 2026-02-10T11:41:15,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b 2026-02-10T11:41:15,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a 2026-02-10T11:41:15,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a 2026-02-10T11:41:15,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08 2026-02-10T11:41:15,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08 2026-02-10T11:41:15,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b 2026-02-10T11:41:15,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b 2026-02-10T11:41:15,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a 2026-02-10T11:41:15,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a 2026-02-10T11:41:15,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04 2026-02-10T11:41:15,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04 2026-02-10T11:41:15,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16 2026-02-10T11:41:15,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16 2026-02-10T11:41:15,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a 2026-02-10T11:41:15,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a 2026-02-10T11:41:15,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b 2026-02-10T11:41:15,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b 2026-02-10T11:41:15,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a 2026-02-10T11:41:15,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a 2026-02-10T11:41:15,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a 2026-02-10T11:41:15,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a 2026-02-10T11:41:15,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09 2026-02-10T11:41:15,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09 2026-02-10T11:41:15,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22 2026-02-10T11:41:15,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22 2026-02-10T11:41:15,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10 2026-02-10T11:41:15,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10 2026-02-10T11:41:15,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06 2026-02-10T11:41:15,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06 2026-02-10T11:41:15,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a 2026-02-10T11:41:15,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a 2026-02-10T11:41:15,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a 2026-02-10T11:41:15,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a 2026-02-10T11:41:15,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a 2026-02-10T11:41:15,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a 2026-02-10T11:41:15,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a 2026-02-10T11:41:15,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a 2026-02-10T11:41:15,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b 2026-02-10T11:41:15,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b 2026-02-10T11:41:15,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11 2026-02-10T11:41:15,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11 2026-02-10T11:41:15,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15 2026-02-10T11:41:15,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15 2026-02-10T11:41:15,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03 2026-02-10T11:41:15,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03 2026-02-10T11:41:15,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17 2026-02-10T11:41:15,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17 2026-02-10T11:41:15,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a 2026-02-10T11:41:15,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a 2026-02-10T11:41:15,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21 2026-02-10T11:41:15,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21 2026-02-10T11:41:15,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a 2026-02-10T11:41:15,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a 2026-02-10T11:41:15,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a 2026-02-10T11:41:15,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a 2026-02-10T11:41:15,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a 2026-02-10T11:41:15,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a 2026-02-10T11:41:15,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14 2026-02-10T11:41:15,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14 2026-02-10T11:41:15,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19 2026-02-10T11:41:15,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19 2026-02-10T11:41:15,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:41:15,141 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 2026-02-10T11:41:15,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:41:15,149 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 2026-02-10T11:41:15,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:41:15,156 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 2026-02-10T11:41:15,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he 2026-02-10T11:41:15,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he 2026-02-10T11:41:15,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:41:15,169 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 2026-02-10T11:41:15,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3 2026-02-10T11:41:15,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3 2026-02-10T11:41:15,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:41:15,178 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 2026-02-10T11:41:15,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:41:15,181 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 2026-02-10T11:41:15,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:41:15,186 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 2026-02-10T11:41:15,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:41:15,190 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 2026-02-10T11:41:15,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:41:15,195 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 2026-02-10T11:41:15,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:41:15,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:41:15,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:41:15,207 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 2026-02-10T11:41:15,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h 2026-02-10T11:41:15,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h 2026-02-10T11:41:15,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o 2026-02-10T11:41:15,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o 2026-02-10T11:41:15,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:41:15,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:41:15,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:41:15,238 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 2026-02-10T11:41:15,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:41:15,242 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 2026-02-10T11:41:15,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:41:15,246 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 2026-02-10T11:41:15,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:41:15,249 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 2026-02-10T11:41:15,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:41:15,253 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 2026-02-10T11:41:15,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+ 2026-02-10T11:41:15,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+ 2026-02-10T11:41:15,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:41:15,259 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 2026-02-10T11:41:15,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9 2026-02-10T11:41:15,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9 2026-02-10T11:41:15,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3 2026-02-10T11:41:15,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3 2026-02-10T11:41:15,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4 2026-02-10T11:41:15,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4 2026-02-10T11:41:15,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6 2026-02-10T11:41:15,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6 2026-02-10T11:41:15,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X 2026-02-10T11:41:15,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X 2026-02-10T11:41:15,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10 2026-02-10T11:41:15,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10 2026-02-10T11:41:15,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein 2026-02-10T11:41:15,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein 2026-02-10T11:41:15,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X 2026-02-10T11:41:15,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X 2026-02-10T11:41:15,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X 2026-02-10T11:41:15,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X 2026-02-10T11:41:15,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7 2026-02-10T11:41:15,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7 2026-02-10T11:41:15,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene 2026-02-10T11:41:15,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene 2026-02-10T11:41:15,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1 2026-02-10T11:41:15,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1 2026-02-10T11:41:15,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2 2026-02-10T11:41:15,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2 2026-02-10T11:41:15,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X 2026-02-10T11:41:15,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X 2026-02-10T11:41:15,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH 2026-02-10T11:41:15,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH 2026-02-10T11:41:15,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5 2026-02-10T11:41:15,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5 2026-02-10T11:41:15,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene 2026-02-10T11:41:15,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene 2026-02-10T11:41:15,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine 2026-02-10T11:41:15,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine 2026-02-10T11:41:15,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8 2026-02-10T11:41:15,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8 2026-02-10T11:41:15,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane 2026-02-10T11:41:15,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane 2026-02-10T11:41:15,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene 2026-02-10T11:41:15,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene 2026-02-10T11:41:15,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene 2026-02-10T11:41:15,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene 2026-02-10T11:41:15,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e 2026-02-10T11:41:15,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e 2026-02-10T11:41:15,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e 2026-02-10T11:41:15,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e 2026-02-10T11:41:15,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e 2026-02-10T11:41:15,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e 2026-02-10T11:41:15,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p 2026-02-10T11:41:15,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p 2026-02-10T11:41:15,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e 2026-02-10T11:41:15,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e 2026-02-10T11:41:15,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p 2026-02-10T11:41:15,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p 2026-02-10T11:41:15,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e 2026-02-10T11:41:15,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e 2026-02-10T11:41:15,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e 2026-02-10T11:41:15,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e 2026-02-10T11:41:15,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p 2026-02-10T11:41:15,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p 2026-02-10T11:41:15,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e 2026-02-10T11:41:15,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e 2026-02-10T11:41:15,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e 2026-02-10T11:41:15,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e 2026-02-10T11:41:15,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e 2026-02-10T11:41:15,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e 2026-02-10T11:41:15,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p 2026-02-10T11:41:15,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p 2026-02-10T11:41:15,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p 2026-02-10T11:41:15,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p 2026-02-10T11:41:15,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p 2026-02-10T11:41:15,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p 2026-02-10T11:41:15,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p 2026-02-10T11:41:15,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p 2026-02-10T11:41:15,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p 2026-02-10T11:41:15,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p 2026-02-10T11:41:15,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p 2026-02-10T11:41:15,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p 2026-02-10T11:41:15,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p 2026-02-10T11:41:15,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p 2026-02-10T11:41:15,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p 2026-02-10T11:41:15,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p 2026-02-10T11:41:15,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e 2026-02-10T11:41:15,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e 2026-02-10T11:41:15,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e 2026-02-10T11:41:15,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e 2026-02-10T11:41:15,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e 2026-02-10T11:41:15,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e 2026-02-10T11:41:15,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e 2026-02-10T11:41:15,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e 2026-02-10T11:41:15,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p 2026-02-10T11:41:15,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p 2026-02-10T11:41:15,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e 2026-02-10T11:41:15,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e 2026-02-10T11:41:15,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p 2026-02-10T11:41:15,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p 2026-02-10T11:41:15,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p 2026-02-10T11:41:15,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p 2026-02-10T11:41:15,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e 2026-02-10T11:41:15,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e 2026-02-10T11:41:15,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p 2026-02-10T11:41:15,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p 2026-02-10T11:41:15,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e 2026-02-10T11:41:15,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e 2026-02-10T11:41:15,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e 2026-02-10T11:41:15,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e 2026-02-10T11:41:15,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e 2026-02-10T11:41:15,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e 2026-02-10T11:41:15,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p 2026-02-10T11:41:15,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p 2026-02-10T11:41:15,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e 2026-02-10T11:41:15,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e 2026-02-10T11:41:15,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p 2026-02-10T11:41:15,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p 2026-02-10T11:41:15,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p 2026-02-10T11:41:15,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p 2026-02-10T11:41:15,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p 2026-02-10T11:41:15,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p 2026-02-10T11:41:15,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p 2026-02-10T11:41:15,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p 2026-02-10T11:41:15,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e 2026-02-10T11:41:15,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e 2026-02-10T11:41:15,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p 2026-02-10T11:41:15,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p 2026-02-10T11:41:15,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p 2026-02-10T11:41:15,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p 2026-02-10T11:41:15,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e 2026-02-10T11:41:15,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e 2026-02-10T11:41:15,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e 2026-02-10T11:41:15,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e 2026-02-10T11:41:15,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p 2026-02-10T11:41:15,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p 2026-02-10T11:41:15,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e 2026-02-10T11:41:15,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e 2026-02-10T11:41:15,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e 2026-02-10T11:41:15,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e 2026-02-10T11:41:15,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p 2026-02-10T11:41:15,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p 2026-02-10T11:41:15,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh 2026-02-10T11:41:15,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh 2026-02-10T11:41:15,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4 2026-02-10T11:41:15,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4 2026-02-10T11:41:15,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A 2026-02-10T11:41:15,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A 2026-02-10T11:41:15,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p 2026-02-10T11:41:15,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p 2026-02-10T11:41:15,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p 2026-02-10T11:41:15,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p 2026-02-10T11:41:15,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s 2026-02-10T11:41:15,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s 2026-02-10T11:41:15,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3 2026-02-10T11:41:15,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3 2026-02-10T11:41:15,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp 2026-02-10T11:41:15,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp 2026-02-10T11:41:15,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G 2026-02-10T11:41:15,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G 2026-02-10T11:41:15,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol 2026-02-10T11:41:15,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol 2026-02-10T11:41:15,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp 2026-02-10T11:41:15,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp 2026-02-10T11:41:15,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6 2026-02-10T11:41:15,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6 2026-02-10T11:41:15,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2 2026-02-10T11:41:15,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2 2026-02-10T11:41:15,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp 2026-02-10T11:41:15,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp 2026-02-10T11:41:15,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4 2026-02-10T11:41:15,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4 2026-02-10T11:41:15,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp 2026-02-10T11:41:15,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp 2026-02-10T11:41:15,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p 2026-02-10T11:41:15,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p 2026-02-10T11:41:15,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp 2026-02-10T11:41:15,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp 2026-02-10T11:41:15,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly 2026-02-10T11:41:15,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly 2026-02-10T11:41:15,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp 2026-02-10T11:41:15,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp 2026-02-10T11:41:15,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp 2026-02-10T11:41:15,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp 2026-02-10T11:41:15,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol 2026-02-10T11:41:15,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol 2026-02-10T11:41:15,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p 2026-02-10T11:41:15,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p 2026-02-10T11:41:15,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p 2026-02-10T11:41:15,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p 2026-02-10T11:41:15,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap 2026-02-10T11:41:15,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap 2026-02-10T11:41:15,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp 2026-02-10T11:41:15,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp 2026-02-10T11:41:15,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp 2026-02-10T11:41:15,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp 2026-02-10T11:41:15,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3 2026-02-10T11:41:15,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3 2026-02-10T11:41:15,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o 2026-02-10T11:41:15,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o 2026-02-10T11:41:15,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6 2026-02-10T11:41:15,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6 2026-02-10T11:41:15,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:41:15,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:41:15,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p 2026-02-10T11:41:15,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p 2026-02-10T11:41:15,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p 2026-02-10T11:41:15,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p 2026-02-10T11:41:15,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p 2026-02-10T11:41:15,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p 2026-02-10T11:41:15,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8 2026-02-10T11:41:15,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8 2026-02-10T11:41:15,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys 2026-02-10T11:41:15,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys 2026-02-10T11:41:15,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s 2026-02-10T11:41:15,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s 2026-02-10T11:41:15,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p 2026-02-10T11:41:15,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p 2026-02-10T11:41:15,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C 2026-02-10T11:41:15,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C 2026-02-10T11:41:15,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:41:15,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:41:15,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass 2026-02-10T11:41:15,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass 2026-02-10T11:41:15,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2 2026-02-10T11:41:15,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2 2026-02-10T11:41:15,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T 2026-02-10T11:41:15,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T 2026-02-10T11:41:15,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp 2026-02-10T11:41:15,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp 2026-02-10T11:41:15,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op 2026-02-10T11:41:15,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op 2026-02-10T11:41:15,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp 2026-02-10T11:41:15,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp 2026-02-10T11:41:15,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6 2026-02-10T11:41:15,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6 2026-02-10T11:41:15,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p 2026-02-10T11:41:15,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p 2026-02-10T11:41:15,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p 2026-02-10T11:41:15,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p 2026-02-10T11:41:15,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl 2026-02-10T11:41:15,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl 2026-02-10T11:41:15,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp 2026-02-10T11:41:15,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp 2026-02-10T11:41:15,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2 2026-02-10T11:41:15,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2 2026-02-10T11:41:15,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2 2026-02-10T11:41:15,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2 2026-02-10T11:41:15,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2 2026-02-10T11:41:15,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2 2026-02-10T11:41:15,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4 2026-02-10T11:41:15,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4 2026-02-10T11:41:15,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2 2026-02-10T11:41:15,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2 2026-02-10T11:41:15,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2 2026-02-10T11:41:15,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2 2026-02-10T11:41:15,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6 2026-02-10T11:41:15,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6 2026-02-10T11:41:15,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1 2026-02-10T11:41:15,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1 2026-02-10T11:41:15,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene 2026-02-10T11:41:15,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene 2026-02-10T11:41:15,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:41:15,749 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 2026-02-10T11:41:15,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen 2026-02-10T11:41:15,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen 2026-02-10T11:41:15,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:41:15,759 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 2026-02-10T11:41:15,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:41:15,764 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 2026-02-10T11:41:15,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be 2026-02-10T11:41:15,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be 2026-02-10T11:41:15,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35 2026-02-10T11:41:15,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35 2026-02-10T11:41:15,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8 2026-02-10T11:41:15,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8 2026-02-10T11:41:15,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb 2026-02-10T11:41:15,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb 2026-02-10T11:41:15,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip 2026-02-10T11:41:15,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip 2026-02-10T11:41:15,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage 2026-02-10T11:41:15,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage 2026-02-10T11:41:15,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2 2026-02-10T11:41:15,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2 2026-02-10T11:41:15,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3 2026-02-10T11:41:15,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3 2026-02-10T11:41:15,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:41:15,803 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 2026-02-10T11:41:15,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl 2026-02-10T11:41:15,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl 2026-02-10T11:41:15,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne 2026-02-10T11:41:15,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne 2026-02-10T11:41:15,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35 2026-02-10T11:41:15,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35 2026-02-10T11:41:15,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6 2026-02-10T11:41:15,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6 2026-02-10T11:41:15,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36 2026-02-10T11:41:15,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36 2026-02-10T11:41:15,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4 2026-02-10T11:41:15,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4 2026-02-10T11:41:15,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36 2026-02-10T11:41:15,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36 2026-02-10T11:41:15,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen 2026-02-10T11:41:15,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen 2026-02-10T11:41:15,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL 2026-02-10T11:41:15,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL 2026-02-10T11:41:15,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:41:15,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:41:15,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:41:15,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:41:15,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99 2026-02-10T11:41:15,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99 2026-02-10T11:41:15,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215 2026-02-10T11:41:15,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215 2026-02-10T11:41:15,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:41:15,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:41:15,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357 2026-02-10T11:41:15,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357 2026-02-10T11:41:15,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470 2026-02-10T11:41:15,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470 2026-02-10T11:41:15,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:41:15,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:41:15,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b 2026-02-10T11:41:15,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b 2026-02-10T11:41:15,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224 2026-02-10T11:41:15,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224 2026-02-10T11:41:15,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:41:15,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:41:15,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114 2026-02-10T11:41:15,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114 2026-02-10T11:41:15,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691 2026-02-10T11:41:15,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691 2026-02-10T11:41:15,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300 2026-02-10T11:41:15,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300 2026-02-10T11:41:15,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:41:15,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:41:15,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366 2026-02-10T11:41:15,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366 2026-02-10T11:41:15,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:41:15,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:41:15,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:41:15,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:41:15,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444 2026-02-10T11:41:15,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444 2026-02-10T11:41:15,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412 2026-02-10T11:41:15,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412 2026-02-10T11:41:15,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:41:15,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:41:15,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:41:15,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:41:15,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:41:15,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:41:15,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:41:15,920 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 2026-02-10T11:41:15,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:41:15,923 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 2026-02-10T11:41:15,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:41:15,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:41:15,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:41:15,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:41:15,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:41:15,934 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 2026-02-10T11:41:15,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:41:15,937 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 2026-02-10T11:41:15,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI 2026-02-10T11:41:15,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI 2026-02-10T11:41:15,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:41:15,944 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 2026-02-10T11:41:15,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:41:15,948 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 2026-02-10T11:41:15,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe 2026-02-10T11:41:15,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe 2026-02-10T11:41:15,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:41:15,955 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 2026-02-10T11:41:15,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr 2026-02-10T11:41:15,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr 2026-02-10T11:41:15,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:41:15,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:41:15,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI 2026-02-10T11:41:15,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI 2026-02-10T11:41:15,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:41:15,969 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 2026-02-10T11:41:15,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:41:15,972 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 2026-02-10T11:41:15,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:41:15,976 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 2026-02-10T11:41:15,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:41:15,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:41:15,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:41:15,982 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 2026-02-10T11:41:15,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:41:15,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:41:15,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:41:15,989 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 2026-02-10T11:41:15,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:41:15,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:41:15,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:41:15,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:41:15,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:41:15,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:41:16,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:41:16,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:41:16,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:41:16,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:41:16,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:41:16,009 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 2026-02-10T11:41:16,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI 2026-02-10T11:41:16,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI 2026-02-10T11:41:16,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:41:16,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:41:16,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH 2026-02-10T11:41:16,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH 2026-02-10T11:41:16,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:41:16,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:41:16,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:41:16,026 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 2026-02-10T11:41:16,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:41:16,029 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 2026-02-10T11:41:16,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:41:16,032 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 2026-02-10T11:41:16,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:41:16,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:41:16,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:41:16,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:41:16,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2 2026-02-10T11:41:16,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2 2026-02-10T11:41:16,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:41:16,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:41:16,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:41:16,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:41:16,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:41:16,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:41:16,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3 2026-02-10T11:41:16,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3 2026-02-10T11:41:16,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:41:16,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:41:16,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:41:16,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:41:16,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:41:16,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:41:16,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:41:16,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:41:16,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH 2026-02-10T11:41:16,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH 2026-02-10T11:41:16,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:41:16,083 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 2026-02-10T11:41:16,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:41:16,087 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 2026-02-10T11:41:16,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:41:16,090 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 2026-02-10T11:41:16,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:41:16,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:41:16,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:41:16,097 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 2026-02-10T11:41:16,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:41:16,100 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 2026-02-10T11:41:16,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:41:16,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:41:16,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:41:16,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:41:16,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:41:16,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:41:16,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:41:16,114 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 2026-02-10T11:41:16,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:41:16,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:41:16,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:41:16,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:41:16,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:41:16,124 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 2026-02-10T11:41:16,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:41:16,127 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 2026-02-10T11:41:16,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:41:16,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:41:16,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH 2026-02-10T11:41:16,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH 2026-02-10T11:41:16,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl 2026-02-10T11:41:16,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl 2026-02-10T11:41:16,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:41:16,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:41:16,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:41:16,144 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 2026-02-10T11:41:16,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:41:16,148 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 2026-02-10T11:41:16,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS 2026-02-10T11:41:16,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS 2026-02-10T11:41:16,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:41:16,156 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 2026-02-10T11:41:16,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:41:16,159 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 2026-02-10T11:41:16,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:41:16,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:41:16,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:41:16,167 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 2026-02-10T11:41:16,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:41:16,170 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 2026-02-10T11:41:16,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:41:16,173 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 2026-02-10T11:41:16,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:41:16,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:41:16,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:41:16,180 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 2026-02-10T11:41:16,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:41:16,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:41:16,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:41:16,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:41:16,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:41:16,190 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 2026-02-10T11:41:16,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:41:16,194 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 2026-02-10T11:41:16,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:41:16,197 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 2026-02-10T11:41:16,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr 2026-02-10T11:41:16,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr 2026-02-10T11:41:16,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:41:16,205 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 2026-02-10T11:41:16,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:41:16,208 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 2026-02-10T11:41:16,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:41:16,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:41:16,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:41:16,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:41:16,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:41:16,217 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 2026-02-10T11:41:16,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:41:16,221 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 2026-02-10T11:41:16,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:41:16,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:41:16,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:41:16,227 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 2026-02-10T11:41:16,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI 2026-02-10T11:41:16,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI 2026-02-10T11:41:16,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:41:16,234 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 2026-02-10T11:41:16,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:41:16,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:41:16,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr 2026-02-10T11:41:16,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr 2026-02-10T11:41:16,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:41:16,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:41:16,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:41:16,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:41:16,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr 2026-02-10T11:41:16,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr 2026-02-10T11:41:16,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:41:16,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:41:16,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:41:16,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:41:16,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3 2026-02-10T11:41:16,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3 2026-02-10T11:41:16,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:41:16,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:41:16,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS 2026-02-10T11:41:16,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS 2026-02-10T11:41:16,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:41:16,271 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 2026-02-10T11:41:16,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:41:16,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:41:16,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64 2026-02-10T11:41:16,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64 2026-02-10T11:41:16,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+ 2026-02-10T11:41:16,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+ 2026-02-10T11:41:16,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74 2026-02-10T11:41:16,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74 2026-02-10T11:41:16,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12 2026-02-10T11:41:16,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12 2026-02-10T11:41:16,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+ 2026-02-10T11:41:16,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+ 2026-02-10T11:41:16,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18 2026-02-10T11:41:16,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18 2026-02-10T11:41:16,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59 2026-02-10T11:41:16,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59 2026-02-10T11:41:16,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+ 2026-02-10T11:41:16,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+ 2026-02-10T11:41:16,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34 2026-02-10T11:41:16,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34 2026-02-10T11:41:16,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13 2026-02-10T11:41:16,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13 2026-02-10T11:41:16,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77 2026-02-10T11:41:16,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77 2026-02-10T11:41:16,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b 2026-02-10T11:41:16,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b 2026-02-10T11:41:16,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76 2026-02-10T11:41:16,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76 2026-02-10T11:41:16,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+ 2026-02-10T11:41:16,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+ 2026-02-10T11:41:16,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48 2026-02-10T11:41:16,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48 2026-02-10T11:41:16,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137 2026-02-10T11:41:16,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137 2026-02-10T11:41:16,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45 2026-02-10T11:41:16,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45 2026-02-10T11:41:16,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+ 2026-02-10T11:41:16,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+ 2026-02-10T11:41:16,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+ 2026-02-10T11:41:16,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+ 2026-02-10T11:41:16,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+ 2026-02-10T11:41:16,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+ 2026-02-10T11:41:16,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o 2026-02-10T11:41:16,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o 2026-02-10T11:41:16,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be 2026-02-10T11:41:16,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be 2026-02-10T11:41:16,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73 2026-02-10T11:41:16,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73 2026-02-10T11:41:16,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20 2026-02-10T11:41:16,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20 2026-02-10T11:41:16,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+ 2026-02-10T11:41:16,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+ 2026-02-10T11:41:16,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+ 2026-02-10T11:41:16,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+ 2026-02-10T11:41:16,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na 2026-02-10T11:41:16,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na 2026-02-10T11:41:16,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+ 2026-02-10T11:41:16,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+ 2026-02-10T11:41:16,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80 2026-02-10T11:41:16,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80 2026-02-10T11:41:16,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75 2026-02-10T11:41:16,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75 2026-02-10T11:41:16,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70 2026-02-10T11:41:16,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70 2026-02-10T11:41:16,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66 2026-02-10T11:41:16,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66 2026-02-10T11:41:16,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si 2026-02-10T11:41:16,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si 2026-02-10T11:41:16,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n 2026-02-10T11:41:16,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n 2026-02-10T11:41:16,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h 2026-02-10T11:41:16,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h 2026-02-10T11:41:16,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65 2026-02-10T11:41:16,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65 2026-02-10T11:41:16,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li 2026-02-10T11:41:16,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li 2026-02-10T11:41:16,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44 2026-02-10T11:41:16,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44 2026-02-10T11:41:16,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25 2026-02-10T11:41:16,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25 2026-02-10T11:41:16,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30 2026-02-10T11:41:16,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30 2026-02-10T11:41:16,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s 2026-02-10T11:41:16,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s 2026-02-10T11:41:16,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68 2026-02-10T11:41:16,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68 2026-02-10T11:41:16,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg 2026-02-10T11:41:16,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg 2026-02-10T11:41:16,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67 2026-02-10T11:41:16,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67 2026-02-10T11:41:16,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78 2026-02-10T11:41:16,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78 2026-02-10T11:41:16,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43 2026-02-10T11:41:16,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43 2026-02-10T11:41:16,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37 2026-02-10T11:41:16,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37 2026-02-10T11:41:16,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22 2026-02-10T11:41:16,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22 2026-02-10T11:41:16,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p 2026-02-10T11:41:16,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p 2026-02-10T11:41:16,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26 2026-02-10T11:41:16,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26 2026-02-10T11:41:16,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+ 2026-02-10T11:41:16,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+ 2026-02-10T11:41:16,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72 2026-02-10T11:41:16,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72 2026-02-10T11:41:16,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f 2026-02-10T11:41:16,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f 2026-02-10T11:41:16,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+ 2026-02-10T11:41:16,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+ 2026-02-10T11:41:16,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60 2026-02-10T11:41:16,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60 2026-02-10T11:41:16,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl 2026-02-10T11:41:16,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl 2026-02-10T11:41:16,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65 2026-02-10T11:41:16,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65 2026-02-10T11:41:16,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51 2026-02-10T11:41:16,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51 2026-02-10T11:41:16,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71 2026-02-10T11:41:16,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71 2026-02-10T11:41:16,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11 2026-02-10T11:41:16,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11 2026-02-10T11:41:16,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61 2026-02-10T11:41:16,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61 2026-02-10T11:41:16,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+ 2026-02-10T11:41:16,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+ 2026-02-10T11:41:16,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c 2026-02-10T11:41:16,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c 2026-02-10T11:41:16,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+ 2026-02-10T11:41:16,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+ 2026-02-10T11:41:16,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14 2026-02-10T11:41:16,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14 2026-02-10T11:41:16,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al 2026-02-10T11:41:16,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al 2026-02-10T11:41:16,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19 2026-02-10T11:41:16,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19 2026-02-10T11:41:16,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62 2026-02-10T11:41:16,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62 2026-02-10T11:41:16,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8 2026-02-10T11:41:16,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8 2026-02-10T11:41:16,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79 2026-02-10T11:41:16,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79 2026-02-10T11:41:16,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63 2026-02-10T11:41:16,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63 2026-02-10T11:41:16,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25 2026-02-10T11:41:16,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25 2026-02-10T11:41:16,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24 2026-02-10T11:41:16,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24 2026-02-10T11:41:16,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23 2026-02-10T11:41:16,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23 2026-02-10T11:41:16,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19 2026-02-10T11:41:16,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19 2026-02-10T11:41:16,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21 2026-02-10T11:41:16,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21 2026-02-10T11:41:16,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26 2026-02-10T11:41:16,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26 2026-02-10T11:41:16,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9 2026-02-10T11:41:16,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9 2026-02-10T11:41:16,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3 2026-02-10T11:41:16,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3 2026-02-10T11:41:16,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4 2026-02-10T11:41:16,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4 2026-02-10T11:41:16,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20 2026-02-10T11:41:16,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20 2026-02-10T11:41:16,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27 2026-02-10T11:41:16,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27 2026-02-10T11:41:16,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6 2026-02-10T11:41:16,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6 2026-02-10T11:41:16,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26 2026-02-10T11:41:16,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26 2026-02-10T11:41:16,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30 2026-02-10T11:41:16,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30 2026-02-10T11:41:16,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10 2026-02-10T11:41:16,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10 2026-02-10T11:41:16,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20 2026-02-10T11:41:16,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20 2026-02-10T11:41:16,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11 2026-02-10T11:41:16,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11 2026-02-10T11:41:16,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7 2026-02-10T11:41:16,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7 2026-02-10T11:41:16,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34 2026-02-10T11:41:16,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34 2026-02-10T11:41:16,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7 2026-02-10T11:41:16,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7 2026-02-10T11:41:16,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32 2026-02-10T11:41:16,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32 2026-02-10T11:41:16,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30 2026-02-10T11:41:16,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30 2026-02-10T11:41:16,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1 2026-02-10T11:41:16,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1 2026-02-10T11:41:16,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12 2026-02-10T11:41:16,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12 2026-02-10T11:41:16,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4 2026-02-10T11:41:16,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4 2026-02-10T11:41:16,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15 2026-02-10T11:41:16,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15 2026-02-10T11:41:16,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15 2026-02-10T11:41:16,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15 2026-02-10T11:41:16,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2 2026-02-10T11:41:16,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2 2026-02-10T11:41:16,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22 2026-02-10T11:41:16,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22 2026-02-10T11:41:16,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23 2026-02-10T11:41:16,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23 2026-02-10T11:41:16,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24 2026-02-10T11:41:16,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24 2026-02-10T11:41:16,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16 2026-02-10T11:41:16,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16 2026-02-10T11:41:16,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34 2026-02-10T11:41:16,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34 2026-02-10T11:41:16,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10 2026-02-10T11:41:16,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10 2026-02-10T11:41:16,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17 2026-02-10T11:41:16,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17 2026-02-10T11:41:16,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17 2026-02-10T11:41:16,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17 2026-02-10T11:41:16,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3 2026-02-10T11:41:16,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3 2026-02-10T11:41:16,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21 2026-02-10T11:41:16,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21 2026-02-10T11:41:16,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27 2026-02-10T11:41:16,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27 2026-02-10T11:41:16,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13 2026-02-10T11:41:16,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13 2026-02-10T11:41:16,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5 2026-02-10T11:41:16,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5 2026-02-10T11:41:16,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31 2026-02-10T11:41:16,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31 2026-02-10T11:41:16,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8 2026-02-10T11:41:16,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8 2026-02-10T11:41:16,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29 2026-02-10T11:41:16,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29 2026-02-10T11:41:16,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1 2026-02-10T11:41:16,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1 2026-02-10T11:41:16,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14 2026-02-10T11:41:16,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14 2026-02-10T11:41:16,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33 2026-02-10T11:41:16,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33 2026-02-10T11:41:16,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31 2026-02-10T11:41:16,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31 2026-02-10T11:41:16,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33 2026-02-10T11:41:16,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33 2026-02-10T11:41:16,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16 2026-02-10T11:41:16,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16 2026-02-10T11:41:16,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9 2026-02-10T11:41:16,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9 2026-02-10T11:41:16,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11 2026-02-10T11:41:16,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11 2026-02-10T11:41:16,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14 2026-02-10T11:41:16,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14 2026-02-10T11:41:16,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12 2026-02-10T11:41:16,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12 2026-02-10T11:41:16,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8 2026-02-10T11:41:16,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8 2026-02-10T11:41:16,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29 2026-02-10T11:41:16,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29 2026-02-10T11:41:16,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25 2026-02-10T11:41:16,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25 2026-02-10T11:41:16,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13 2026-02-10T11:41:16,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13 2026-02-10T11:41:16,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28 2026-02-10T11:41:16,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28 2026-02-10T11:41:16,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18 2026-02-10T11:41:16,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18 2026-02-10T11:41:16,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18 2026-02-10T11:41:16,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18 2026-02-10T11:41:16,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32 2026-02-10T11:41:16,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32 2026-02-10T11:41:16,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28 2026-02-10T11:41:16,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28 2026-02-10T11:41:16,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2 2026-02-10T11:41:16,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2 2026-02-10T11:41:16,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3 2026-02-10T11:41:16,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3 2026-02-10T11:41:16,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4 2026-02-10T11:41:16,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4 2026-02-10T11:41:16,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2 2026-02-10T11:41:16,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2 2026-02-10T11:41:16,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6 2026-02-10T11:41:16,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6 2026-02-10T11:41:16,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7 2026-02-10T11:41:16,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7 2026-02-10T11:41:16,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5 2026-02-10T11:41:16,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5 2026-02-10T11:41:16,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6 2026-02-10T11:41:16,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6 2026-02-10T11:41:16,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5 2026-02-10T11:41:16,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5 2026-02-10T11:41:16,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3 2026-02-10T11:41:16,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3 2026-02-10T11:41:16,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4 2026-02-10T11:41:16,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4 2026-02-10T11:41:16,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7 2026-02-10T11:41:16,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7 2026-02-10T11:41:16,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:41:16,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:41:16,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:41:16,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:41:16,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:41:16,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:41:16,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:41:16,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:41:16,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:41:16,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:41:16,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:41:16,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:41:16,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:41:16,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:41:16,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:41:16,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:41:16,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:41:16,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:41:16,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:41:16,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:41:16,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:41:16,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:41:16,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:41:16,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:41:16,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:41:16,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:41:16,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:41:16,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:41:16,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:41:16,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:41:16,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:41:16,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:41:16,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:41:16,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:41:16,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:41:16,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:41:16,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:41:16,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:41:16,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:41:16,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:41:16,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:41:16,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:41:16,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:41:16,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:41:16,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:41:16,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:41:16,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:41:16,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:41:16,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:41:16,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:41:16,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:41:16,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:41:16,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:41:16,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:41:16,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:41:16,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:41:16,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:41:16,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:41:16,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:41:16,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:41:16,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:41:16,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:41:16,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:41:16,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:41:16,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:41:16,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:41:16,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:41:16,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:41:16,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:41:16,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:41:16,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:41:16,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:41:16,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:41:16,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:41:16,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:41:16,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:41:16,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:41:16,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:41:16,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:41:16,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:41:16,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:41:16,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:41:16,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:41:16,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:41:16,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:41:16,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:41:16,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:41:16,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:41:16,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:41:16,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:41:16,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:41:16,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:41:16,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:41:16,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:41:16,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:41:16,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:41:16,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:41:16,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:41:16,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:41:16,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:41:16,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:41:16,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:41:16,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:41:16,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:41:16,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:41:16,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:41:17,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:41:17,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:41:17,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:41:17,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:41:17,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:41:17,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:41:17,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:41:17,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:41:17,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:41:17,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:41:17,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:41:17,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:41:17,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:41:17,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:41:17,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:41:17,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:41:17,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:41:17,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:41:17,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:41:17,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:41:17,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:41:17,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:41:17,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:41:17,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:41:17,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:41:17,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:41:17,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:41:17,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:41:17,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:41:17,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:41:17,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:41:17,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:41:17,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:41:17,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:41:17,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:41:17,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:41:17,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:41:17,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:41:17,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:41:17,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:41:17,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:41:17,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:41:17,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:41:17,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:41:17,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:41:17,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:41:17,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:41:17,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:41:17,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:41:17,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:41:17,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:41:17,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:41:17,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:41:17,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:41:17,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:41:17,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:41:17,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:41:17,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:41:17,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:41:17,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:41:17,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:41:17,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:41:17,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:41:17,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:41:17,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:41:17,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:41:17,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:41:17,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:41:17,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:41:17,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:41:17,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:41:17,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:41:17,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:41:17,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:41:17,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:41:17,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:41:17,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:41:17,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:41:17,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:41:17,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:41:17,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:41:17,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:41:17,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:41:17,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:41:17,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:41:17,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:41:17,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:41:17,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:41:17,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:41:17,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:41:17,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:41:17,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:41:17,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:41:17,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:41:17,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3 2026-02-10T11:41:17,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3 2026-02-10T11:41:17,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4 2026-02-10T11:41:17,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4 2026-02-10T11:41:17,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:41:17,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:41:17,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6 2026-02-10T11:41:17,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6 2026-02-10T11:41:17,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3 2026-02-10T11:41:17,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3 2026-02-10T11:41:17,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6 2026-02-10T11:41:17,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6 2026-02-10T11:41:17,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3 2026-02-10T11:41:17,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3 2026-02-10T11:41:17,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5 2026-02-10T11:41:17,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5 2026-02-10T11:41:17,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6 2026-02-10T11:41:17,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6 2026-02-10T11:41:17,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2 2026-02-10T11:41:17,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2 2026-02-10T11:41:17,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3 2026-02-10T11:41:17,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3 2026-02-10T11:41:17,202 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,205 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,208 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,210 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,212 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,215 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,217 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,219 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,221 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,224 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,226 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,228 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,231 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,233 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,236 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,238 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,240 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,242 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,245 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,247 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,249 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,252 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,254 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,256 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,259 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,261 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,263 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,265 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,268 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,270 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,272 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,274 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:17,277 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,278 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,280 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,283 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,285 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,287 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,290 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,292 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,294 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,297 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,299 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,301 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,304 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,307 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,310 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,312 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,316 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,319 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,322 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,325 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,327 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,330 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,333 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,336 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,338 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,341 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,343 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,347 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,350 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,353 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,356 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,359 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,361 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,364 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,366 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,369 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,372 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,375 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,379 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,381 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,384 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,387 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:17,390 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,391 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,394 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,397 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,400 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,403 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,405 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,408 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,410 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,412 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,415 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,417 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,419 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,421 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,423 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,425 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,427 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,430 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,432 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,434 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,436 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,438 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,441 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,443 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,445 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,447 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,450 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,452 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,454 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,456 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,458 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,461 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,463 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,465 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,467 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,470 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,472 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:17,474 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,475 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,477 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,479 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,482 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,484 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,486 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,488 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,491 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,493 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,495 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,498 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,500 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,502 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,504 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,506 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,509 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,511 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,513 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,515 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,517 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,520 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,522 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,524 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,526 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,528 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,530 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,532 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,534 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,537 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,539 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,542 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,544 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,546 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,549 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,551 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,553 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,556 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,558 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,560 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,563 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,565 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,567 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,570 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:17,572 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,573 copying xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,576 copying xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,578 copying xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,580 copying xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,582 copying xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,584 copying xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,587 copying xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,589 copying xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,591 copying xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,593 copying xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,595 copying xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,597 copying xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,600 copying xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,602 copying xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,604 copying xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,606 copying xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,608 copying xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,610 copying xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,613 copying xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,615 copying xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,617 copying xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,619 copying xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,621 copying xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:17,623 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,625 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,627 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,629 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,632 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,634 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,636 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,638 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,640 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,642 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,644 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,647 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,649 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,651 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,653 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,655 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,658 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:17,660 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,661 copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,663 copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,666 copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,668 copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,670 copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,672 copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,674 copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,677 copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,679 copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,681 copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,683 copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,685 copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,687 copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,690 copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,692 copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,695 copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,698 copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,701 copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,703 copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,706 copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,708 copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,710 copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,713 copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,715 copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,717 copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,720 copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,722 copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,724 copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,726 copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,729 copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,731 copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,733 copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,735 copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,737 copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,740 copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,742 copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,744 copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,746 copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,748 copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,750 copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,753 copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,755 copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,757 copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,759 copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,761 copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:17,763 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:41:17,764 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:41:17,767 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:41:17,769 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:41:17,771 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:41:17,774 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:41:17,776 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,777 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,779 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,781 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,783 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,786 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,788 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,790 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,792 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,794 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,797 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,799 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,801 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,803 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,806 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,808 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,810 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,813 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,815 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,817 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,819 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,821 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:17,824 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,825 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,827 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,829 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,831 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,833 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,836 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,838 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,840 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,842 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,844 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,846 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,848 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,850 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,853 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,855 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,857 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,859 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,861 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,863 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,866 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,868 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,870 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,872 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,875 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,877 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,879 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,881 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,883 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,886 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,888 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,890 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,892 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,894 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,896 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,898 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,900 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,902 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,904 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,907 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,909 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,911 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,913 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,915 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,917 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,920 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,922 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,924 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,926 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,928 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,931 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,933 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,935 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,937 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,939 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,942 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,944 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,946 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,948 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,950 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,952 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,954 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,956 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,958 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,961 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,963 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,965 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,967 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,969 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,972 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,974 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,976 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,978 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,980 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,983 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,985 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,987 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,989 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,991 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,993 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,996 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:17,998 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:18,000 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:18,002 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:18,004 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:18,006 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:18,009 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:18,011 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:18,013 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:18,015 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:18,017 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:18,019 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:41:18,020 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:41:18,023 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:41:18,025 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:41:18,028 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:41:18,030 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,032 copying xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,034 copying xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,037 copying xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,039 copying xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,041 copying xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,043 copying xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,045 copying xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,047 copying xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,050 copying xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,052 copying xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,054 copying xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,056 copying xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,058 copying xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,060 copying xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,063 copying xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,065 copying xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,067 copying xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,069 copying xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,071 copying xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,076 copying xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,078 copying xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,080 copying xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,082 copying xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,084 copying xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,086 copying xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,089 copying xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:18,091 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,092 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,095 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,097 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,099 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,101 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,103 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,106 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,108 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,110 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,113 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,115 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,117 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,119 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,122 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,124 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,126 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,128 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,130 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,132 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,135 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,137 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,139 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,141 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,143 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,145 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,148 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,150 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,152 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,154 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,156 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,159 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,161 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,163 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,165 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,168 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,170 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,172 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,175 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,177 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,179 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,181 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,183 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,186 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,188 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,190 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,192 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,194 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,196 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,198 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,200 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,203 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,206 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,208 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,211 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,213 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,215 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,217 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,220 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,222 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,224 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,227 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,229 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,231 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,233 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,235 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,237 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,240 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,242 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,244 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,246 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,248 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,250 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,253 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,255 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,257 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,259 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,262 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,264 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,266 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,268 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,270 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,272 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,275 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,277 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,279 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,281 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,283 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,285 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,287 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,290 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,292 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,294 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,296 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,298 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,300 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,302 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,304 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,306 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,308 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,311 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,313 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,315 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,317 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,319 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,322 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,324 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,326 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,328 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,331 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,333 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,335 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,337 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,339 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,341 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,343 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,345 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,347 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,350 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,352 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,354 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,356 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,358 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,360 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,363 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,365 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,367 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,369 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,371 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,373 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,376 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,378 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,380 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,382 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,385 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,387 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,389 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,391 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,393 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,396 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,398 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,400 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,402 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,404 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,406 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,408 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,410 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,412 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,415 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,417 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,419 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,421 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,423 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,426 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,428 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,430 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,432 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,434 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,437 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,439 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,441 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,443 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,445 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,447 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,449 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,451 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,454 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,456 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,458 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,460 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,462 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,464 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,466 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,468 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,470 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,473 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,475 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,477 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,479 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,482 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,484 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,486 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,488 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,490 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,492 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,495 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,497 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,499 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,501 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,503 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,506 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,508 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,510 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,512 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,514 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,516 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,518 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,521 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,523 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,525 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,527 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,530 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,532 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,534 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,536 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,538 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,541 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,543 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,545 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,548 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,550 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,552 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,554 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,557 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,559 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,561 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,563 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,565 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,567 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,569 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,571 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,573 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,575 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,577 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,580 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,582 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,584 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,586 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,588 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,591 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,593 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,595 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,598 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,600 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,602 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,604 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,607 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,609 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,611 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,613 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,615 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,618 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,620 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,622 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,624 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,626 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,628 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,630 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,633 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,635 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,637 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,639 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,642 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,644 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,646 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,649 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,651 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,653 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,655 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,657 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,659 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,662 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,664 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,666 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,668 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,670 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,673 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,675 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,678 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,680 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,682 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,684 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,686 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,688 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,690 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,693 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,695 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:18,698 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,699 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,702 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,705 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,707 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,709 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,711 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,713 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,716 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,718 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,720 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,723 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,725 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,728 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,730 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,732 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,734 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,736 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,739 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,741 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,743 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,745 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,747 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,749 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,752 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,754 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,756 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,758 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,760 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,763 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,765 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,767 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,770 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,772 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,775 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,777 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,779 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,781 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,783 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,786 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,788 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,790 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,792 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,794 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,796 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,798 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,800 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,802 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,805 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,807 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,809 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,811 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,813 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,815 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,817 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,820 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,822 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,824 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,826 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,828 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,831 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,833 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,835 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,837 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,839 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,841 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,843 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,846 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,848 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,850 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,852 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,854 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,856 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,858 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,860 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,862 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,865 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,867 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,869 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,871 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,874 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,876 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,878 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,880 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,882 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,885 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,887 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,889 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,891 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,893 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,895 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,898 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,900 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,902 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,904 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,906 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,908 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,910 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,912 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,915 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,917 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,919 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,921 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,923 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,926 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,928 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,930 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,932 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,934 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,936 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,938 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,940 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,943 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,945 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,947 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,949 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,952 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,954 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,956 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,959 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,961 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,963 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,968 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,972 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,975 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,977 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,979 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,981 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,983 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,985 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,987 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,989 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,992 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,994 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,996 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:18,999 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,001 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,003 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,005 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,007 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,009 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,012 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,014 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,017 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,019 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,021 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,023 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,026 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,028 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,030 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,032 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,034 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,036 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,039 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,048 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,052 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,055 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,057 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,059 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,062 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,064 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,066 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,068 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,071 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,073 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,076 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,078 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,080 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,082 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,085 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,087 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,089 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,091 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,094 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,096 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,098 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,100 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,103 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,105 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,107 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,109 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,111 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,114 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,116 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,118 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,121 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,123 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,125 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,127 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,129 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,132 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,134 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,136 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,138 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,141 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,143 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,145 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,148 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,150 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,152 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,154 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,156 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,158 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,160 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,162 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,164 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,167 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,169 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,171 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,173 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,175 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,178 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,180 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,182 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,184 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,186 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,189 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,191 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,193 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,195 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,198 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,200 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,202 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,205 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,207 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,209 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,211 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,213 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,215 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,218 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,220 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,222 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,224 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,227 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,229 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,231 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,234 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,236 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,238 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,241 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,243 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,245 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,247 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,250 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,252 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,254 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,256 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,258 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,261 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,263 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,266 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,268 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,270 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,273 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,275 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,278 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,280 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,282 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,284 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,286 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,289 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,291 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,293 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,295 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,297 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,300 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,302 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,304 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,306 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,308 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,311 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,313 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,315 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,318 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,320 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,323 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,325 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,327 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,329 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,331 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,333 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,335 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,337 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,340 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,342 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,344 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,346 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,348 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,350 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,353 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,355 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,357 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,359 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,362 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,364 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,366 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,368 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,371 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,373 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,375 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,377 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,380 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,382 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,384 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,387 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,389 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,391 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,393 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,395 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,397 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,399 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,401 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,404 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,406 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,408 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,410 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,412 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,415 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,417 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,419 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,421 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,423 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,426 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,428 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,430 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,432 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,435 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,437 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,439 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,441 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,443 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,446 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,448 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,450 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,452 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,454 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,456 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,458 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,461 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,463 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,465 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,467 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,469 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,472 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,474 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,476 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,478 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,481 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,483 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,485 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,487 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,489 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,491 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,494 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,496 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,498 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,500 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,502 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,505 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,507 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,509 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,511 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,513 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,515 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,518 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,520 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,523 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,526 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,529 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,532 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,535 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,538 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,541 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,544 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,547 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,550 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,553 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,556 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,559 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,562 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,565 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,568 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,571 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,574 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,577 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,580 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,583 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,586 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,588 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,591 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,594 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,597 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,601 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,603 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,606 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,609 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,612 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,615 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,618 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,620 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,623 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,625 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,627 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,629 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,632 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,634 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,637 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,640 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,643 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,645 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,647 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,649 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,651 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,653 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,656 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,658 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,660 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,662 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,664 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,667 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,669 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,671 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,673 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,675 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,677 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,680 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,682 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,684 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,686 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,689 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,691 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,694 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,696 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,698 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,701 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,703 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,705 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,707 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,709 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,711 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,713 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,716 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,718 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,720 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,722 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,725 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,727 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,729 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,732 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,734 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,736 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,738 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,741 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,743 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,745 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,748 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,750 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,752 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,755 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,757 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,759 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,761 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,764 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,766 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,768 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,770 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,772 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,775 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,777 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,779 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,781 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,784 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,786 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,788 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,790 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,793 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,795 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,797 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,799 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,802 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,804 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,806 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,808 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,810 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:19,813 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,814 copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,816 copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,819 copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,821 copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,824 copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,826 copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,828 copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,830 copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,834 copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,837 copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,839 copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,841 copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,843 copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,846 copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,848 copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,850 copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,852 copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,854 copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,857 copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,859 copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,861 copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,864 copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,866 copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,868 copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,871 copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,874 copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,876 copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,879 copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,881 copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,883 copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,885 copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,887 copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,889 copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,891 copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,893 copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,896 copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,898 copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,900 copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,902 copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,904 copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,906 copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,908 copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,910 copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,913 copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,915 copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,917 copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,919 copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,921 copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,924 copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,926 copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,928 copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,930 copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,933 copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,935 copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,937 copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,939 copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,941 copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,943 copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,945 copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,948 copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,950 copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,952 copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,954 copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,957 copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,959 copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,961 copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,963 copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,966 copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,968 copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,970 copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,972 copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,974 copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,976 copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,978 copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,981 copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,983 copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,985 copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,987 copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,990 copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,992 copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,994 copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,996 copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:19,999 copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:20,001 copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:20,003 copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:20,005 copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:20,007 copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:20,009 copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:20,011 copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:20,013 copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:20,015 copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:20,018 copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:20,020 copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:20,022 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,023 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,026 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,028 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,031 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,034 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,036 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,039 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,041 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,043 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,045 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,048 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,050 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,052 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,054 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,056 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,059 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,061 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,063 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,065 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,067 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,069 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,071 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,074 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,076 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,078 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,081 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,083 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,085 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,088 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,092 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,095 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,098 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,100 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,102 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,105 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,107 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,110 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,112 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,114 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,116 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,119 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,121 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,123 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,125 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,128 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,130 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,132 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,135 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,137 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,140 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,142 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,144 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,146 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,149 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,151 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,154 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,157 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,159 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,161 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,164 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,166 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,169 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,171 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,173 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,175 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,178 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,180 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,182 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,184 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,186 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,188 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,191 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,193 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,195 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,197 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,199 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,202 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,204 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,206 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,208 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,210 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,213 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,215 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,218 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,220 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,222 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,225 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,227 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,229 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,231 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,234 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,237 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,239 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,241 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,243 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,246 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,248 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,250 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,252 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,255 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,257 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,259 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,261 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,264 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,266 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,268 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,270 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,273 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,275 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,277 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,280 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,282 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,285 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,287 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,289 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,291 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,294 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,296 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,298 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,300 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,302 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,305 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,307 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,309 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,311 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,314 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,316 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,318 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,321 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,323 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,325 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,327 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,330 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,332 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,334 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,336 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,339 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,341 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,343 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,345 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,347 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,350 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,352 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,354 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,356 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,359 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,361 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,363 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,365 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,367 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,369 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,372 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,374 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,376 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,378 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,380 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,383 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,385 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,387 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,390 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,392 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,395 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,397 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,399 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,401 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,404 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,406 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,408 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,410 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,412 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,415 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,417 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,419 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,421 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,424 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,426 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,429 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,431 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,433 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,435 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,438 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,440 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,443 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,445 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,447 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,450 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,452 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,455 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,457 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,459 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,461 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,464 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,466 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,468 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,470 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,472 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,474 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,476 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,479 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,481 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,483 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,486 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,488 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,490 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,492 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,495 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,497 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,499 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,502 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,504 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,506 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,508 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,511 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,513 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,515 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,517 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,520 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,522 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,524 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,526 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,529 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,531 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,533 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,536 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,538 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,540 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,542 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,545 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,547 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,549 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,551 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,554 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,556 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,558 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,560 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,562 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,565 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,567 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,569 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,572 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,574 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,576 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,578 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,580 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,582 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,584 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,587 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,589 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,591 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,593 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,596 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,598 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,600 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,602 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,605 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,607 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,609 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,611 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,614 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,616 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,618 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,621 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,624 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,626 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,629 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,632 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,635 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,637 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,640 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,642 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,645 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,647 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,649 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,652 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,654 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,657 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,661 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,667 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,669 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,672 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,674 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,677 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,679 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,682 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,684 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,687 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,689 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,691 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,694 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,696 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,699 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,701 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,703 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,706 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,708 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,711 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,714 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,717 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,719 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,722 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,724 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,727 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,729 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,732 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,734 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,737 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,739 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,742 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,744 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,747 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,750 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,753 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,755 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,757 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,761 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,763 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,765 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,768 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,770 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,773 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,775 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,778 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,780 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,782 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,785 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,787 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,790 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,792 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,795 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,798 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,801 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,804 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,807 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,809 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,812 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,815 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,818 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,820 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,823 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,826 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,828 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,831 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,834 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,836 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,839 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,842 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,844 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,847 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,849 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,851 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,854 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,857 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,859 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,862 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,865 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,867 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,869 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,872 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,875 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,878 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,880 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,882 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,885 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,887 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,890 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,893 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,895 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,898 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,900 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,903 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,905 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,908 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,911 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,913 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,916 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,918 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,920 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,923 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,925 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,928 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,930 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,933 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,936 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,938 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,941 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,943 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,945 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,948 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,950 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,953 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,955 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,957 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,960 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,962 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,965 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,967 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,969 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,972 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,974 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,976 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,979 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,981 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,984 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,986 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,989 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,991 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,994 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,996 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:20,999 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,002 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,004 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,006 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,009 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,011 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,014 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,016 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,019 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,021 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,023 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,025 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,028 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,030 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,032 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,035 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,038 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,040 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,043 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,045 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,047 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,050 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,052 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,055 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,058 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,060 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,063 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,065 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,067 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,070 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,072 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,075 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,077 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,080 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,083 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,085 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,088 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,090 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,093 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,096 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,098 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,101 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,103 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,105 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,108 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,110 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,112 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,115 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,117 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,120 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,122 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,124 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,127 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,129 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,132 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,134 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,137 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,139 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,142 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,145 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,148 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,150 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,153 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,155 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,158 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,160 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,163 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,165 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,168 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,170 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,173 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,175 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,178 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,180 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,183 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,186 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,188 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,191 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,193 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,196 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,198 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,201 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,204 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,207 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,209 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,212 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,215 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,217 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,219 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,222 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,224 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,226 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,229 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,231 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,233 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,235 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,238 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,240 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,242 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,244 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,246 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,249 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,251 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,253 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,255 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,257 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,260 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,262 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,264 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,266 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,269 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,271 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,273 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,275 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,277 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,280 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,282 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,284 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,286 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,289 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,291 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,293 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,296 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,298 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,300 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,302 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,305 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,307 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,309 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,311 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,313 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,316 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,318 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,320 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,322 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,325 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,327 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,329 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,331 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,333 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,335 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,338 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,340 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,342 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,344 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,347 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,349 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,351 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,353 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,355 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,357 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,360 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,362 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,364 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,366 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,368 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,371 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,373 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,375 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,377 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,379 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,381 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,383 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,385 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,387 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,390 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,392 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,394 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,396 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,399 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,401 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,403 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,405 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,407 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,409 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,411 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,414 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,416 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,418 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,420 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,422 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,425 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,427 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,429 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,431 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,434 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,436 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,438 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,440 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,442 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,445 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,447 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,449 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,451 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,454 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,456 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,458 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,461 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,463 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,465 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,468 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,470 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,472 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,474 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,476 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,479 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,481 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,483 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,485 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,488 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,490 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,492 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,494 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,496 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,498 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,500 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,503 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,505 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,507 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,509 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,511 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,513 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,515 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,518 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,520 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,522 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,524 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,526 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,528 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,531 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,533 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,535 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,537 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,539 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,541 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,543 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,545 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,547 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,549 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,551 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,554 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,556 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,558 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,561 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,563 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,565 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,567 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,569 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,571 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,573 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,575 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,578 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:21,580 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,581 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,583 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,586 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,588 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,590 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,593 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,595 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,598 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,600 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,602 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,604 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,606 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,614 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,622 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:21,624 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,625 copying xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,628 copying xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,630 copying xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,632 copying xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,634 copying xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,636 copying xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,639 copying xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,641 copying xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,643 copying xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,645 copying xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,648 copying xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,650 copying xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,652 copying xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,654 copying xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,657 copying xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,659 copying xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,661 copying xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,663 copying xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,666 copying xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,668 copying xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,670 copying xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:21,673 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,674 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,677 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,679 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,681 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,684 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,686 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,688 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,690 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,693 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,695 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,697 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,700 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,702 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,705 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,707 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,710 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,712 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,714 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,716 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,718 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,721 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,723 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,725 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,727 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,730 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,732 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,734 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,736 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,738 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,740 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,742 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,744 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,746 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:21,748 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,749 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,752 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,754 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,756 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,758 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,760 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,763 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,765 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,767 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,770 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,772 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,775 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,777 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,779 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,781 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,783 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,786 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,788 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,790 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,792 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,795 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,797 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,799 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,802 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,804 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,806 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,808 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,811 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,813 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,815 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,817 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,819 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,822 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,824 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,826 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,828 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,830 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,833 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,835 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,837 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,839 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,841 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,843 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,846 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,848 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,850 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,852 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,854 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,856 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,858 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,860 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,863 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,865 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,867 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,869 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,871 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,873 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,876 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,878 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,880 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,882 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,885 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,887 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,889 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,891 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:21,893 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,894 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,897 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,899 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,901 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,903 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,906 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,908 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,910 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,912 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,915 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,917 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,919 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,921 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,923 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,925 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,927 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,930 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,932 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,935 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,937 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,939 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,942 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,944 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,946 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,948 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,950 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,952 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,955 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,957 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,959 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,962 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,964 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:21,966 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,967 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,970 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,972 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,974 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,976 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,978 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,980 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,982 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,985 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,987 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,989 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,991 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,993 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,995 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:21,997 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,000 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,002 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,004 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,006 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,008 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,011 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,013 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,015 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,017 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,019 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,022 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,024 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,026 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,029 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,031 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,033 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,035 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,037 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,039 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,041 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,043 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,045 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,047 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,049 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,051 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,053 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,056 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,058 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,060 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,063 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,065 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,067 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,069 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,071 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,073 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,075 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,078 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,080 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,082 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,084 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,086 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,088 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,090 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,093 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,095 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,097 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,099 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,101 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,103 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,107 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,110 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,112 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,114 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,116 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,119 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,121 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,123 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,125 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,127 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,130 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,132 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,134 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,136 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,138 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,141 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,143 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,145 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,147 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,150 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,152 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,155 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,157 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,159 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,161 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,163 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,166 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,168 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,170 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,172 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,174 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,177 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,179 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,181 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,183 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,185 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,187 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:22,190 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,191 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,193 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,196 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,198 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,200 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,202 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,205 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,208 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,210 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,212 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,215 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,217 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,219 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,221 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,223 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,225 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,228 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,230 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,232 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,235 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,237 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,239 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,241 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,243 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,246 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,248 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,250 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,252 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,255 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,257 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,259 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,261 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,263 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,266 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,268 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,270 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,272 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,275 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,277 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,280 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,282 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,285 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,287 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,289 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,291 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,293 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,295 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,297 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,299 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,301 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,304 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,306 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,308 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,310 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,312 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,314 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,317 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,319 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,321 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,323 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,326 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,328 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,330 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,332 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,334 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,337 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,339 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,341 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,343 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,346 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,348 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,350 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,352 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,354 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,356 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,359 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,361 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,364 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,366 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,368 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,370 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,372 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,375 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,377 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,379 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,381 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,383 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,385 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,388 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,390 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,392 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,394 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,397 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,399 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,401 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,403 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,405 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:22,407 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,409 copying xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,411 copying xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,413 copying xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,415 copying xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,417 copying xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,419 copying xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,421 copying xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,423 copying xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,426 copying xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,428 copying xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,430 copying xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,432 copying xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,434 copying xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,436 copying xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,438 copying xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,441 copying xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:22,442 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,444 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,446 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,448 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,450 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,453 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,455 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,457 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,459 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,461 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,463 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,466 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,468 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,470 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,472 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,474 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,476 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,478 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,481 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,483 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,485 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,487 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,489 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,492 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,494 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,496 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,498 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,500 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,502 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,504 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,506 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,509 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,511 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,513 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,515 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,519 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,522 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,524 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,527 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,529 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,531 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,533 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,535 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,537 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,540 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,542 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,545 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,547 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,550 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,552 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,555 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,557 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,559 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,561 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,563 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,566 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,568 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,571 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,574 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,576 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,579 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,581 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,584 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,587 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,589 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,591 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,593 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,596 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,598 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,600 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,603 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,605 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,607 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,610 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,612 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,614 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,616 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,618 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,621 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,624 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,628 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,631 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,634 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,636 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,638 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,641 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,643 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,646 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,648 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,651 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,654 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,656 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,659 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,663 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,667 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,669 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,671 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,673 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,676 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,678 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,680 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,682 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,685 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,687 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,689 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,693 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,696 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,698 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,700 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,702 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,705 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,707 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,710 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,712 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,714 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,716 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,719 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,721 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,723 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,726 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,728 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,730 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,732 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,735 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,738 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,740 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,742 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,745 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,747 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,749 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,752 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,754 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,756 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,759 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,762 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,764 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,767 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,769 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,772 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,774 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,776 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,778 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,780 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,782 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,785 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,787 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,789 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,792 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,794 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,797 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,799 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,801 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,803 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,806 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,808 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,810 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,813 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,815 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,818 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,820 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,822 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,824 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,827 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,829 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,831 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,833 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,835 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,837 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,840 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,842 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,844 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,846 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,848 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,851 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,853 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,857 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,859 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,861 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,863 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,866 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,868 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,871 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,873 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,877 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,879 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,881 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,884 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,886 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,888 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,891 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,893 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,895 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,897 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,899 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,902 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,904 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,907 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,909 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,911 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,913 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,916 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,919 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,921 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,923 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,926 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,928 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,931 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,933 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,935 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,938 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,940 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,942 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,945 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,947 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,950 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,953 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,956 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,958 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,961 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,963 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,965 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,967 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,970 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,972 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,974 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,976 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,978 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,981 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,983 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,985 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,987 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,990 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,992 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,995 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:22,997 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,000 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,002 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,005 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,007 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,009 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,011 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,014 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,016 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,018 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,020 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,022 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,025 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,027 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,029 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,031 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,034 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,036 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,039 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,041 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,043 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,045 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,048 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,050 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,052 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,055 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,057 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,059 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,062 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,064 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,066 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,068 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,070 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,072 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,075 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,077 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,079 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,081 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,083 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,086 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,088 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,090 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,092 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,095 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,097 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,099 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,102 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,104 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,106 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,109 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,111 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,113 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,117 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,119 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,122 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,124 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,126 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,128 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,130 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,132 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,134 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,136 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,138 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,141 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,143 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,145 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,147 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,150 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,153 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,156 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,159 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,162 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,165 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,168 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,171 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,174 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,177 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,180 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,182 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,185 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,188 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,191 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,194 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,197 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,201 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,204 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,207 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,210 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,213 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,216 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,219 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,222 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,225 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,228 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,231 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,233 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,236 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,239 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,242 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,245 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,248 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,250 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,253 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,255 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,258 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,260 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,263 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,265 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,267 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,269 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,271 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,274 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,276 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,279 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,281 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,283 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,285 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,288 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,290 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,292 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,294 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,297 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,299 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,301 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,304 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,306 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,308 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,311 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,313 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,315 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,317 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,320 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,322 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,324 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,326 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,329 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,331 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,333 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,335 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,338 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,340 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,342 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,345 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,347 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,349 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,352 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,354 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,356 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,359 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,361 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,363 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,366 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,368 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,370 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,372 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,375 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,377 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,380 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,382 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,384 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,386 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,388 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,390 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,393 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,395 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,398 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,400 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,402 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,405 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,407 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,410 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,412 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,414 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,416 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,419 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,421 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,424 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,426 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,428 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,430 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,433 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:23,435 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,436 copying xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,439 copying xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,441 copying xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,443 copying xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,446 copying xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,448 copying xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,450 copying xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,452 copying xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,454 copying xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,457 copying xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,459 copying xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,461 copying xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,463 copying xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,466 copying xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:23,468 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,469 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,472 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,474 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,477 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,479 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,481 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,483 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,486 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,488 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,491 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,493 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,495 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,498 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,500 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,502 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,504 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,506 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,508 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,511 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,513 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,515 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,517 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,519 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,522 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,524 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,526 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,528 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,531 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,533 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,535 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,538 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,540 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,543 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,545 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,547 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,550 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,552 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,555 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,557 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,559 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,561 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,563 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,566 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,568 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,570 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,572 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,575 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,577 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,579 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,581 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,583 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,586 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,588 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,590 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,592 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,595 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,597 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,600 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,602 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,604 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,606 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,608 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,611 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,613 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,616 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,618 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,620 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,622 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,624 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,626 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,629 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,631 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,633 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,635 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,638 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,640 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,643 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,645 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,647 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,649 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,652 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,654 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,656 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,658 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,661 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,663 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,665 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,667 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,670 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,672 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,674 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,676 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,678 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,681 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,683 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,686 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,688 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,690 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,692 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,695 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,697 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,699 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,701 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,704 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,706 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,708 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,710 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,712 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,715 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,717 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,719 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,722 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,724 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,726 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,729 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,731 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,734 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,736 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,738 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,741 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,743 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,745 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,747 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,750 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,752 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,755 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,757 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,759 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,762 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,764 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,766 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,768 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,771 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,773 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,775 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,778 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,780 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,782 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,784 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,787 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,789 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,791 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,793 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,796 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,798 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,800 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,803 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,805 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,807 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,810 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,812 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,814 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,817 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,819 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,822 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,824 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,826 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,829 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,831 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,833 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,836 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,838 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,840 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,842 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,844 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,847 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,849 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,851 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,853 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,855 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,857 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,859 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,862 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,864 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,866 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,868 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,871 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,873 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,875 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,878 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,880 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,882 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,884 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,887 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,889 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,891 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,894 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,897 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,899 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,901 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,903 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,906 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,908 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,910 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,912 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,914 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,916 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,918 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,921 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,923 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,925 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,927 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,929 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,931 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,934 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,936 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,938 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,941 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,943 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,945 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:23,947 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,949 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,951 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,953 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,955 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,958 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,960 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,962 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,964 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,966 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,968 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,971 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,973 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,975 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,977 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,980 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,982 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,984 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,987 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,989 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,991 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,994 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,996 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:23,998 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,001 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,003 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,005 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,008 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,010 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,012 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,014 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,016 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,018 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,020 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,022 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,025 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,027 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,029 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,031 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,033 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,035 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,038 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,040 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,042 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,044 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,047 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:24,049 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,050 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,053 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,056 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,058 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,060 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,063 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,065 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,067 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,070 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,072 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,074 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,077 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,079 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,081 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,084 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,086 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,089 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,092 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,094 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,097 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,100 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,103 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,105 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,108 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,110 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,113 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,116 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,118 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,122 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,124 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,127 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,129 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,132 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,134 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,136 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,138 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,141 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,143 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,145 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,147 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,149 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,151 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,155 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,159 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,161 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,163 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,166 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,168 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,170 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,172 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,175 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,177 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,179 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,181 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,184 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,186 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,188 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,191 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,193 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,195 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,197 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,199 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,202 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,204 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,206 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,208 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,210 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,212 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,215 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,217 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,219 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,221 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,223 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,225 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,228 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,230 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,232 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,234 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,237 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,239 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,241 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,243 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,246 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,248 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,250 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,252 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,255 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,257 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,259 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,261 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,263 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,266 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,268 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,270 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,273 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,275 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,278 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,280 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,282 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,284 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,287 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,289 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,291 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,293 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,296 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,298 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,301 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,303 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,305 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,307 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,310 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,312 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,314 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,316 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,318 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,320 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,322 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,324 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,326 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,329 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,331 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,333 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,335 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,337 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,340 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,342 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,344 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,346 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,349 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,351 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,353 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,355 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,358 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,360 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,362 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,364 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,367 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,369 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,371 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,373 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,375 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,377 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,379 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,382 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,386 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,388 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,390 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,393 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,395 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,397 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,400 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,402 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,405 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,407 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,409 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,411 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,414 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,416 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,419 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,421 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,423 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,425 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,428 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,430 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,432 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,434 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,436 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,438 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,441 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,443 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,445 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,447 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,449 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,451 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,454 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,457 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,459 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,461 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,464 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,466 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,468 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,470 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,472 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,475 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,477 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,480 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,482 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,484 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,487 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,489 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,491 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,494 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,496 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,498 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,500 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,502 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,504 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,506 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,508 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,510 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,513 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,515 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,518 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,520 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,523 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,526 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,528 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,530 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,532 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,535 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,537 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,539 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,541 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,544 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,546 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,548 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,550 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,552 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,554 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,556 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,559 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,561 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,563 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,565 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,567 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,569 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,571 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,574 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,576 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,578 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,580 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,583 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,585 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,587 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,590 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,592 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,594 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,596 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,599 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,601 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,603 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,606 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,608 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,610 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,612 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,614 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,616 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,618 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,621 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,623 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,625 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,627 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,629 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,631 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,634 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,636 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,638 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,641 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,643 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,646 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,648 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,650 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,653 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,655 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,657 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,659 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,661 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,664 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,666 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,668 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,670 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,672 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,674 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,677 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,679 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,681 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,683 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,686 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,688 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,690 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,692 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,695 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,697 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,699 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,701 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,703 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,706 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,708 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,710 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,712 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,715 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,717 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,720 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,722 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,724 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,726 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,728 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,731 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,733 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,735 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,737 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,739 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,742 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,744 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,747 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,749 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,751 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,753 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,755 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,758 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,760 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,762 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,764 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,766 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,769 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,771 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,773 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,776 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,778 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,780 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,782 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,785 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,787 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,789 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,791 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,793 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,795 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,797 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,800 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,802 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,804 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,806 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,809 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,811 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,813 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,815 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,818 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,820 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,822 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,825 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,827 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,830 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,832 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,834 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,837 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,839 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,842 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,845 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,847 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,850 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,852 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,854 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,856 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,858 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,860 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,863 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,865 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,868 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,870 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,872 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,874 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,877 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,879 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,881 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,883 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,886 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,888 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,890 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,892 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,895 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,897 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,899 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,902 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,904 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,906 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,909 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,911 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,913 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,915 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,917 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,919 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,921 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,923 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,926 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,928 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,930 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,932 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,934 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,936 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,939 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,941 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,943 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,945 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,947 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,950 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,952 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,954 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,956 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,958 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,960 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,962 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,964 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,967 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,969 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,971 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,973 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,975 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,977 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,979 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,982 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,984 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,986 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,988 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,991 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,993 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,995 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:24,998 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,000 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,002 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,004 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,007 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,009 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,011 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,013 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,016 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,018 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,020 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,022 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,024 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,027 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,029 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,031 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,034 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,036 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,038 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,040 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,043 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,045 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,047 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,050 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,052 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,055 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,057 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,060 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,062 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,064 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,066 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,068 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,071 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,073 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,075 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,077 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,079 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,081 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,084 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,086 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,088 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,090 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,092 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,094 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,096 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,099 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,101 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,103 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,105 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,108 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,110 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,112 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,115 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,117 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,119 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,122 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,124 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,127 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,129 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,131 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,134 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,137 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,139 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,141 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,144 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,146 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,148 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,150 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,152 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,154 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,157 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,162 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,164 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,167 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,169 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,171 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,173 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,176 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,178 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,180 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,183 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,185 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,188 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,190 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,192 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,195 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,197 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,199 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,201 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,204 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,206 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,209 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,212 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,214 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,216 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,218 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,221 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,223 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,226 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,228 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,230 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,233 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,235 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:25,237 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,238 copying xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,241 copying xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,243 copying xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,246 copying xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,248 copying xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,250 copying xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,253 copying xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,255 copying xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,257 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,259 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,261 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,264 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,267 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,269 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,272 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,274 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,276 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,278 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,281 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,283 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,285 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,288 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,290 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,292 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,295 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,297 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,299 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,302 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,304 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,306 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,308 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,311 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,313 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,316 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,318 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,321 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,323 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,325 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,327 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,329 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,332 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,334 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,336 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,338 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,341 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,343 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,345 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,347 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,350 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,352 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,354 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,356 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,358 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,360 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,362 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,365 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,367 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,369 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,371 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,373 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,375 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,377 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,380 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,382 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,384 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,386 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,389 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,391 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,393 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,395 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,398 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,400 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,402 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,404 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,406 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,408 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,410 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,413 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,415 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,418 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,420 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,422 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,424 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,427 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,429 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,431 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,434 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,436 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,438 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,441 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,443 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,445 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,447 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,449 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,452 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,454 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,456 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,458 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,460 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,463 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,465 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,467 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,469 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,472 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,474 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,476 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,478 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,480 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,483 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,485 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,487 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,490 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,492 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,495 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,497 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,499 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,502 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,504 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,506 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,508 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,511 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,513 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,515 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,517 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,520 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,522 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,524 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,526 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,529 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,531 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,533 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,535 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,538 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,540 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,542 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,545 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,547 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,550 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,552 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,554 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,556 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,559 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,561 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,564 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,566 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,568 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,570 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,573 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,575 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,577 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,579 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,582 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,584 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,587 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,589 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,591 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,593 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,596 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,598 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,600 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,603 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,605 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,607 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,610 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,612 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,614 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,616 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,618 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,621 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,623 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,626 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,628 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,630 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,633 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,635 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,637 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,639 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,641 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,643 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,645 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,648 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,650 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,652 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,654 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,657 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,659 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,661 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,664 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,666 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,668 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,671 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,673 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,675 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,678 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,680 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,682 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,685 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,687 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,689 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,691 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,693 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,696 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,698 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,700 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,702 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,705 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,707 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,709 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,712 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,714 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,716 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,718 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,720 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:25,722 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,724 copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,726 copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,729 copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,731 copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,733 copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,735 copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,738 copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,740 copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,742 copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,745 copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,747 copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,749 copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,751 copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,754 copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,756 copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,758 copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,760 copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,763 copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,765 copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,767 copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,769 copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,771 copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,774 copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,776 copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,778 copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,780 copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,783 copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,785 copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,787 copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,790 copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,792 copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,794 copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,797 copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,799 copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,801 copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,803 copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,806 copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,808 copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,810 copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,813 copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,815 copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,817 copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:25,819 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,820 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,822 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,825 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,827 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,829 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,831 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,833 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,835 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,838 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,840 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,842 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,845 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,847 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,849 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,852 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,854 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,856 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,859 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,861 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,864 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,867 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,869 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,871 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,873 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,875 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,878 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,880 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,882 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,885 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,890 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,899 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,905 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,910 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,916 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,921 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,924 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,926 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,928 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,931 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,933 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,936 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,939 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,943 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,947 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,951 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,953 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,956 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,959 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,962 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,965 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,968 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,971 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,973 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,977 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,980 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,982 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:25,984 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:25,986 copying xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:25,988 copying xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:25,990 copying xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:25,993 copying xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:25,995 copying xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:25,997 copying xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:25,999 copying xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,001 copying xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,004 copying xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,006 copying xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,008 copying xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,010 copying xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,012 copying xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,015 copying xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,017 copying xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,019 copying xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,022 copying xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,024 copying xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,026 copying xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,028 copying xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,030 copying xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,033 copying xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,035 copying xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,037 copying xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,039 copying xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,041 copying xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,044 copying xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:26,046 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,047 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,049 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,052 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,054 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,056 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,058 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,060 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,063 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,065 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,067 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,070 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,072 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,074 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,077 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,079 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,081 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,084 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,086 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,088 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,090 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,092 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,095 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,097 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,099 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,101 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,104 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,106 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,112 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,115 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,117 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,119 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,122 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,124 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,126 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,130 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,133 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,136 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,140 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,143 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:26,145 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,147 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,150 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,152 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,155 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,157 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,159 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,162 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,164 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,166 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,169 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,171 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,174 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,176 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,178 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,181 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,183 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,186 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,188 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,191 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,193 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,195 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:26,197 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:26,199 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:26,201 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:26,203 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:26,206 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:26,209 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:26,211 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:26,214 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:26,217 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:26,220 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,221 copying xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,224 copying xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,226 copying xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,228 copying xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,230 copying xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,233 copying xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,235 copying xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,237 copying xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,239 copying xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,241 copying xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,243 copying xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,246 copying xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,248 copying xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,250 copying xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,252 copying xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,254 copying xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,256 copying xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,258 copying xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,261 copying xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,263 copying xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,265 copying xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,268 copying xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,270 copying xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,272 copying xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,274 copying xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,276 copying xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,279 copying xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,281 copying xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,283 copying xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,285 copying xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,288 copying xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,290 copying xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,292 copying xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,295 copying xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,297 copying xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:26,299 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,300 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,303 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,305 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,307 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,310 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,312 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,314 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,316 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,319 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,321 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,323 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,325 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,328 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,330 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,332 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,334 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,337 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,339 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,341 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,343 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,346 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,348 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,350 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,353 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,355 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,357 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,359 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,361 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,364 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,366 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,368 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,370 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,373 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,375 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,377 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,380 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,382 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,385 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,387 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,390 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,392 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,394 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,397 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,399 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,401 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,404 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,406 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,409 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,411 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,413 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,415 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,418 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,420 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,422 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,424 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,427 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,429 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,432 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,434 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,437 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,439 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,441 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,444 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,446 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,448 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,451 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,453 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,455 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,457 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,460 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,462 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,464 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,467 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,469 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,472 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,475 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,477 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,479 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,481 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,484 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,486 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,488 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,490 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,493 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,495 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,498 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,500 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,502 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,505 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,507 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,509 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,512 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,514 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,517 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,520 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,522 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,525 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,527 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,529 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,532 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,534 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,536 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,538 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,540 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,542 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,545 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,547 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,549 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,552 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,554 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,556 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,558 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,561 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,563 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,565 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,567 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,570 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,572 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,574 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,576 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,578 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,581 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,583 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,585 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,587 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,590 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,592 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,594 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,596 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,598 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,601 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,603 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,605 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,608 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,610 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,612 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,615 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,617 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,619 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,621 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,624 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,626 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,628 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,630 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,633 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,635 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,637 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,639 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,642 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,644 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,647 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,649 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,651 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,653 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,656 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,658 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,660 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,662 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,665 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,667 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,669 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,671 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,674 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,676 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,678 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,680 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,683 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,685 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,687 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,689 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,692 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,694 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,697 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,699 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,701 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,704 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,707 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,709 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,711 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,713 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,716 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,718 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,720 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,722 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,725 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,727 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,729 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,731 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,733 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,736 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,738 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,740 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,743 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,745 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,747 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,750 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,752 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,754 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,757 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,759 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,761 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,764 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,766 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,768 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,770 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,772 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,774 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,777 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,779 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,781 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,783 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,785 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,788 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,790 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,792 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,795 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,797 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,799 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,801 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,804 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,806 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,808 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,810 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,813 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,815 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,817 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,820 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,822 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,824 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,826 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,828 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,830 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,832 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,835 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,837 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:26,839 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:26,840 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:26,843 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:26,845 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:26,848 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:26,851 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:26,854 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:26,856 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:26,858 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:26,860 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,862 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,864 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,866 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,869 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,871 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,873 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,876 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,878 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,880 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,883 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,885 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,887 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,889 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,891 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,893 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,896 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,898 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,900 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,902 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,904 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,907 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,909 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,911 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,913 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,915 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,917 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,920 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,922 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,925 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,927 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,930 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,932 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,934 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,937 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,939 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,941 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,943 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,946 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,948 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,950 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,953 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,955 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,957 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,959 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,961 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,964 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,966 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,968 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,971 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,973 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,975 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,977 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,980 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,982 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,985 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,987 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,989 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,991 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,994 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,996 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:26,998 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,000 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,002 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,005 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,007 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,009 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,011 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,014 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,016 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,018 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,020 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,022 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,025 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,027 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,029 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,031 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,033 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,036 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,038 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,040 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,042 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,044 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,047 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,049 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,051 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,054 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,056 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,058 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,061 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,063 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,066 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,068 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,070 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,073 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,075 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,077 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,079 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,081 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,083 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,086 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,088 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,090 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,092 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,094 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,096 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,099 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,101 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,103 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,106 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,108 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,110 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,113 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,115 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,117 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,120 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,122 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,124 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,127 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,129 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,132 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,135 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,137 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,139 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,142 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,144 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,146 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,148 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,151 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,153 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,155 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,157 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,160 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,162 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,164 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,167 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,169 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,171 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,173 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,176 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,178 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,180 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,182 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,184 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,187 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,189 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,191 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,194 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,196 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,199 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,201 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,203 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,205 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:27,207 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,209 copying xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,211 copying xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,213 copying xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,215 copying xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,218 copying xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,220 copying xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,222 copying xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,224 copying xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,226 copying xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,229 copying xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,231 copying xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,233 copying xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,235 copying xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,238 copying xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,240 copying xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,242 copying xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,244 copying xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,247 copying xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,249 copying xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,251 copying xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,254 copying xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,256 copying xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,258 copying xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,261 copying xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,263 copying xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,265 copying xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,267 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,269 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,271 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,273 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,275 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,278 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,280 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,282 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,284 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,286 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,289 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,291 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,293 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,296 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,298 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,300 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,302 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,304 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,307 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,309 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,311 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,314 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,316 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,318 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,320 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,323 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,325 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,327 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,329 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,331 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,334 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,336 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,338 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,340 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,342 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,345 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,347 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,349 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,351 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,353 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,356 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,358 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,360 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,362 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,365 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,367 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:27,369 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,370 copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,373 copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,376 copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,378 copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,380 copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,383 copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,385 copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,388 copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,390 copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,392 copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,394 copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,396 copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,398 copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,401 copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,403 copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,405 copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,407 copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,410 copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,412 copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,414 copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,416 copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,419 copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,421 copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,423 copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,426 copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,428 copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,430 copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,433 copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,435 copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,437 copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,439 copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,442 copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,444 copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,446 copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,449 copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,451 copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,453 copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,455 copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,457 copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,459 copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,462 copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,464 copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,466 copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,469 copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,471 copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,473 copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,476 copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,478 copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,480 copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,482 copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,485 copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,487 copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,489 copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,492 copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,494 copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,496 copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,499 copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,501 copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,503 copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,506 copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,508 copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,510 copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,512 copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,514 copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,516 copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,518 copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,520 copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,522 copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,525 copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,527 copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,529 copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,531 copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,534 copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,536 copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,538 copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,541 copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,543 copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,545 copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,547 copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,550 copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,552 copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,554 copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,556 copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,558 copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,561 copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,563 copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,565 copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,568 copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,570 copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,572 copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:27,574 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,575 copying xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,577 copying xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,579 copying xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,582 copying xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,584 copying xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,586 copying xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,588 copying xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,590 copying xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,592 copying xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,595 copying xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,597 copying xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,599 copying xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,601 copying xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,603 copying xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,605 copying xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,608 copying xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,610 copying xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,612 copying xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,614 copying xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,616 copying xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,619 copying xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,621 copying xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,623 copying xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,626 copying xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,628 copying xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,630 copying xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,633 copying xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,635 copying xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,637 copying xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,639 copying xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,641 copying xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,644 copying xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,646 copying xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,648 copying xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,650 copying xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,653 copying xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,655 copying xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,657 copying xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,659 copying xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,661 copying xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,663 copying xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,666 copying xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,668 copying xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,670 copying xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,673 copying xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,675 copying xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,678 copying xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,680 copying xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,682 copying xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,686 copying xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,688 copying xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,690 copying xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,692 copying xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,696 copying xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,698 copying xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,701 copying xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,703 copying xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,705 copying xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,708 copying xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,710 copying xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:27,713 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,714 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,717 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,720 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,722 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,725 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,728 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,730 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,732 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,735 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,737 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,740 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,742 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,745 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,747 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,749 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,752 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,754 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,757 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,760 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,762 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,765 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,767 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,770 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,773 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,775 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,777 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,780 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,782 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,785 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,787 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,789 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,792 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,794 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,796 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,799 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,801 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,803 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,806 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,808 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,811 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,813 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,815 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,818 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,820 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,823 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,825 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,828 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,830 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,832 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,835 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,837 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,840 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,842 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,845 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,848 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,850 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,853 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,855 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,858 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,860 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,863 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,865 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,868 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,870 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,872 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,875 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,877 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,879 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,882 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,884 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,887 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,889 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,891 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,894 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,896 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,899 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,901 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,904 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,906 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,908 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,911 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,913 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,916 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,918 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,921 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,923 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,926 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,928 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,930 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,933 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,935 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,938 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,940 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,943 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,945 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,947 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,950 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,952 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,954 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,957 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,959 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,962 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,965 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,967 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,970 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,972 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,975 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,977 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,980 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,982 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,985 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,987 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,989 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,992 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,994 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,997 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,999 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:28,002 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:28,004 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:28,007 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:28,009 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:28,010 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:28,013 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:28,015 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:28,018 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:28,020 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:28,023 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:28,025 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:28,028 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:28,030 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:28,033 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:28,035 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:28,037 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,039 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,041 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,044 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,046 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,049 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,051 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,054 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,056 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,059 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,061 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,063 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,066 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,068 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,071 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,073 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,075 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,078 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,080 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:28,082 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,084 copying xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,087 copying xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,089 copying xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,091 copying xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,094 copying xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,096 copying xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,098 copying xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,101 copying xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,103 copying xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,106 copying xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,108 copying xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,110 copying xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,113 copying xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,115 copying xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,118 copying xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,120 copying xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,123 copying xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,125 copying xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,128 copying xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,130 copying xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,132 copying xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,135 copying xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,138 copying xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,140 copying xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,143 copying xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,145 copying xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,147 copying xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,150 copying xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,154 copying xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,157 copying xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,159 copying xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,161 copying xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,164 copying xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,166 copying xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,169 copying xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,171 copying xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,174 copying xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,177 copying xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,179 copying xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,182 copying xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,185 copying xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,188 copying xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,191 copying xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,194 copying xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,197 copying xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,200 copying xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,204 copying xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,207 copying xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,210 copying xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,213 copying xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,216 copying xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,219 copying xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,223 copying xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,226 copying xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,229 copying xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,232 copying xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,235 copying xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,238 copying xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,241 copying xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,244 copying xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,247 copying xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,250 copying xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,253 copying xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,256 copying xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,259 copying xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,262 copying xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,265 copying xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,268 copying xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,271 copying xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,275 copying xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,278 copying xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:28,281 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,283 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,285 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,288 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,290 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,293 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,295 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,298 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,301 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,303 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,306 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,308 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,311 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:28,313 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,314 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,317 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,319 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,322 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,326 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,328 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,331 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,333 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,336 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,338 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,341 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,345 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,348 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,350 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,353 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,355 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,358 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,360 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,363 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,366 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,368 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,371 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,373 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,376 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,378 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,381 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,389 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,398 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,400 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,402 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,405 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,407 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,410 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,412 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,414 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,417 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,419 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,421 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,423 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,426 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,428 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,430 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,432 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,434 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,437 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,439 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,441 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,443 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,445 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,448 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,450 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,452 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:28,454 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,456 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,458 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,460 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,462 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,465 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,467 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,470 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,472 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,475 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,477 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,480 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,482 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,484 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,486 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,488 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,490 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,493 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,495 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,497 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,499 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,501 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,503 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,506 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,508 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,510 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,512 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,514 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,516 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,518 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,520 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,523 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,525 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,527 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,529 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,531 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,534 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,536 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,538 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:28,541 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,542 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,544 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,546 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,549 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,551 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,553 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,555 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,557 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,560 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,562 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,564 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,566 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,568 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,570 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,572 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,574 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,576 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,578 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,581 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,583 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,585 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,587 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,589 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,591 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,594 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,596 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,598 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,600 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,602 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,605 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,607 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:28,609 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,610 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,612 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,615 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,617 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,619 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,622 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,624 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,626 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,629 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,631 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,633 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,635 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,637 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,639 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,641 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,643 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,646 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,648 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,650 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,652 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,654 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,656 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,659 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,661 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,663 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,665 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,667 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,670 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,672 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,675 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,678 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,680 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,683 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,685 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,687 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,689 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,691 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,693 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,695 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,698 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,700 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,702 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,704 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,706 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,708 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,710 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:28,712 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,714 copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,716 copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,718 copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,721 copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,723 copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,726 copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,728 copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,731 copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,733 copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,735 copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,738 copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,741 copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,744 copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,747 copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,750 copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,752 copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,754 copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,756 copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,758 copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,760 copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,763 copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,765 copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,767 copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,770 copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,772 copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,775 copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,777 copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,779 copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,781 copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,784 copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,786 copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,788 copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,790 copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,793 copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,795 copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,799 copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,802 copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,804 copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,807 copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,809 copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,811 copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,815 copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,818 copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,820 copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,823 copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,826 copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,829 copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,833 copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,836 copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,838 copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,841 copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,843 copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,848 copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,851 copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,854 copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,856 copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,859 copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,862 copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,864 copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,867 copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,869 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,870 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,873 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,876 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,878 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,881 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,883 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,885 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,888 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,890 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,893 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,895 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,897 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,900 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,902 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,904 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,906 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,909 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,911 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,913 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,916 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,918 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,920 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,923 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,925 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,928 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,930 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,933 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,935 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,938 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,940 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,942 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,945 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,947 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,950 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,952 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,955 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,958 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,960 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,963 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,965 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,968 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,970 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,973 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,976 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,978 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,981 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,983 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,986 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:28,988 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:28,990 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:28,993 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:28,996 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:28,999 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,002 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,005 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,008 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,011 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,015 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,018 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,021 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,024 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,027 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,031 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,034 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,037 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,040 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,044 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,048 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,052 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,055 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,058 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,061 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,064 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,068 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,071 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,074 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,077 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,080 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,082 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,085 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,088 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,090 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,092 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,095 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,097 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,099 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,102 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,104 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,106 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,109 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,112 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,114 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,116 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,118 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,120 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,123 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,125 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,127 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,129 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,131 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,134 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,136 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,138 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,141 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,143 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,145 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,147 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,149 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,151 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,153 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,156 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,158 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,160 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,162 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,165 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,167 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,169 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,171 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,173 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,176 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,178 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,180 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,183 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,185 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,187 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,189 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,191 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,194 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,196 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,198 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,200 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,202 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,205 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,207 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,210 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,212 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,214 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,216 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,219 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,221 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,223 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,225 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,228 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,230 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,232 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,235 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,237 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,239 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,242 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,244 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,246 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,249 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,251 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,254 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,256 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,258 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,260 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,262 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,264 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,266 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,269 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,271 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,273 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,276 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,278 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,280 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,282 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,284 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,286 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,289 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,291 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,293 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,296 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,298 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,300 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,302 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,305 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,307 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,310 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,312 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,315 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,318 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,320 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,322 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,325 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,327 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,329 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,332 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,334 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,336 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,338 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,340 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,343 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,345 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,348 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,350 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,352 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,355 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,357 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,359 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,362 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,364 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,366 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,368 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,370 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,373 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,375 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,377 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,379 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,382 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,384 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,386 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,388 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,391 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,393 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,395 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,397 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,400 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,402 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,404 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,406 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,408 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,410 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,412 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,415 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,417 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,419 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,422 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,424 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,426 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,428 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,431 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,433 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,435 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,437 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,440 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,442 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,444 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,446 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,448 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,451 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,453 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,455 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,457 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,459 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,461 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,463 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,465 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,468 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,470 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,472 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,474 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,476 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,478 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,480 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,483 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,485 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,487 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,489 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,491 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,494 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,496 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,498 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,500 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,502 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,505 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,507 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,509 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,511 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,514 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,516 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,518 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,520 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,522 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,524 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,527 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,529 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,531 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,533 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,535 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,538 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,540 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,542 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,544 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,546 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,548 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,550 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,552 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,555 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,557 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,559 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,561 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,563 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,566 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,568 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,570 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,572 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,574 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,577 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,579 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,581 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,583 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,585 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,587 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,589 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,591 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,593 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,596 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,598 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,600 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,602 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,604 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,607 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,609 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,611 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,613 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,616 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,618 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,620 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,623 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,625 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,627 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,630 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,632 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,634 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,636 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,638 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,641 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,643 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,645 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,647 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,650 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,652 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,654 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,656 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,658 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,660 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,662 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,665 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,667 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,669 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,671 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,674 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,676 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,678 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,680 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,682 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,685 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,687 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,690 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,692 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,695 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,698 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,700 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,703 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,706 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,708 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,711 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,714 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,716 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,719 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,721 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,723 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,726 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,728 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,731 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,733 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,736 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,738 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,741 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,743 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,746 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,748 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,751 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,753 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,756 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,758 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,761 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,763 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,766 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,769 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,771 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,774 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,777 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,780 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,782 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,785 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,788 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,791 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,794 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,796 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,799 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,801 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,804 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,807 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,809 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,812 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,814 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,817 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,819 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,822 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,824 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,827 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,829 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,832 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,834 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,837 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,839 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,842 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,844 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,847 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,849 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,851 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,853 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,856 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,858 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,860 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,862 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,865 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,867 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,869 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,871 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,873 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,876 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,878 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,880 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,882 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,884 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,886 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,888 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,891 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,893 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,895 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,897 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,900 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,902 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,904 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,907 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,909 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,912 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,914 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,916 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,919 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,921 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,923 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,925 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,927 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,930 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,932 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,934 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,936 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,938 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,940 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,943 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,945 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,947 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,949 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,951 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,954 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,956 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,958 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,961 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,963 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,965 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,968 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,970 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,972 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,974 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,977 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,979 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,981 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,984 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,986 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,988 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,990 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,992 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,995 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:29,997 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,000 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,002 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,004 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,006 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,009 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,011 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,013 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,015 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,017 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,020 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,022 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,024 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,026 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,029 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,031 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,033 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,036 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,038 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,040 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,042 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,044 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,047 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,049 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,051 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,053 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,055 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,057 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,060 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,062 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,064 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,066 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,069 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,072 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,075 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,077 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,079 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,081 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,084 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,086 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,088 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,090 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,093 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,095 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,097 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,099 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,102 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,104 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,106 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,109 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,111 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,114 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,116 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,119 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,121 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,123 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,125 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,127 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,130 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,133 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,135 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,137 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,139 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,141 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,143 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,146 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,148 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,151 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,153 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,155 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,157 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,159 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,162 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,164 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,166 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,170 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,172 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,174 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,177 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,179 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,182 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,184 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,186 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,189 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,191 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,193 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,195 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,197 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,199 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,202 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,204 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,206 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,208 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,210 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,212 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,215 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,217 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,219 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,221 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,223 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,226 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,228 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,230 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,232 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,234 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,237 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,239 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,241 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,243 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,245 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,248 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,250 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,252 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,254 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,256 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,258 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,260 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,263 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,265 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,267 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,269 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,271 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,274 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,276 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,278 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,281 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,283 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,285 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,288 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,290 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,293 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,295 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,297 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,299 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,302 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,304 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,306 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,308 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,311 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,313 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,316 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,318 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,322 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,325 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,329 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:30,332 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,334 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,336 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,338 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,341 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,343 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,345 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,347 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,350 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,352 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,354 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,357 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,359 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,362 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,364 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,367 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,369 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,371 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,374 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,379 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,390 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,392 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,394 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,396 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,398 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,401 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,403 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,406 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,408 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,410 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,413 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,415 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,417 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,420 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,422 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,424 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,426 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,429 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,431 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,433 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,436 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,438 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,440 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,443 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,445 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,447 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,449 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,451 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,453 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:30,456 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,457 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,460 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,462 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,464 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,466 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,468 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,471 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,473 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,475 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,477 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,479 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,482 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,484 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,486 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,488 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,490 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,493 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,495 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,497 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,500 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,502 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,504 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,506 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,508 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,510 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,512 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,514 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,517 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,519 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,521 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,523 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,525 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,527 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,529 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,532 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,534 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,536 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,538 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,540 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,543 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:30,545 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,546 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,548 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,550 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,553 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,555 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,557 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,559 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,562 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,564 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,566 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,568 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,570 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,572 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,575 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,577 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,579 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,581 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,584 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,586 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,588 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,590 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,592 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,595 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,597 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,599 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,601 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:30,603 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,605 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,607 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,609 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,611 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,614 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,616 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,618 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,620 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,622 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,624 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,626 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,628 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,630 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,633 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,635 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,637 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,639 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,641 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,644 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,646 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,648 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,650 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,652 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,655 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,657 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,659 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,661 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,663 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,666 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,668 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,670 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,673 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,675 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,677 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,679 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,681 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,684 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,686 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,688 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,690 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,692 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,695 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,697 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,699 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,701 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,703 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,706 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,708 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,710 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,712 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:30,714 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,716 copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,718 copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,720 copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,722 copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,724 copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,727 copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,729 copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,731 copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,734 copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,736 copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,738 copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,741 copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,743 copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,746 copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,748 copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,751 copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,753 copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,756 copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,760 copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,762 copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,765 copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,768 copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,770 copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,773 copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,775 copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,778 copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,780 copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,783 copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,785 copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,787 copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,790 copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,792 copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,794 copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,796 copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,799 copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,801 copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,803 copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,805 copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,808 copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,810 copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,812 copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,814 copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,816 copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,819 copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,821 copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,823 copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,825 copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,827 copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,829 copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,831 copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,834 copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,836 copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,838 copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,840 copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,843 copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,846 copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,849 copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,852 copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,854 copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,856 copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,858 copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,860 copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,862 copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,865 copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,867 copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,869 copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:30,871 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,872 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,875 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,877 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,879 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,881 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,883 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,885 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,887 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,889 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,891 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,894 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,896 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,899 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,901 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,904 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,906 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,908 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,911 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,913 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,915 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,917 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,919 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,921 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,924 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,926 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,929 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,932 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,934 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,937 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,939 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,941 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,943 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,946 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,948 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,950 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,952 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,955 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,957 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,959 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,962 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,964 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,966 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,968 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,970 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,973 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,975 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,977 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,979 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,981 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,983 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,986 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,988 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,990 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,992 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,995 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,997 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,999 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,002 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,004 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,006 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,008 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,010 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,013 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,016 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,019 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,021 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,023 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,025 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,028 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,030 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,032 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,034 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,036 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,038 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,041 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,043 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,045 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,047 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,050 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,052 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,054 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,056 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,058 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,060 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,062 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,065 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,067 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,069 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,071 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,073 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,075 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,078 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,080 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,082 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,085 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,087 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,089 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,092 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,094 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,096 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,099 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,101 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,103 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,105 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,107 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,109 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,111 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,114 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,116 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,118 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,120 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,122 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,125 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,127 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,129 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,131 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,134 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,136 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,138 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,141 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,143 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,145 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,147 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,150 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,152 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,154 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,156 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,158 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,161 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,163 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,165 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,167 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,169 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,173 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,176 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,178 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,180 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,182 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,185 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,187 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,189 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,192 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,194 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,196 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,198 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,201 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,203 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,205 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,207 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,209 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,212 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,214 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,216 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,218 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,220 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,222 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,224 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,227 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,229 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,231 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,234 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,236 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,238 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,240 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,243 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,245 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,247 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,249 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,252 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,254 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,257 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,260 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,263 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,265 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,267 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,269 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,272 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,274 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,277 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,279 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,281 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,283 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,285 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,287 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,289 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,292 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,294 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,296 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,298 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,300 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,303 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,305 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,308 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,310 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,312 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,315 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,317 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,319 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,322 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,324 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,327 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,329 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,331 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,333 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,335 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,338 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,340 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,342 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,345 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,347 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,349 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,352 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,354 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,357 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,360 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,363 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,366 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,369 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,371 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,373 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,376 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,378 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,380 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,382 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,385 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,387 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,390 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,393 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,395 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,397 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,400 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,403 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,405 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,407 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,409 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,412 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,414 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,416 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,418 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,421 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,423 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,426 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,428 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,430 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,433 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,435 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,437 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,440 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,442 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,444 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,447 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,449 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,451 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,454 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,456 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,458 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,460 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,462 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,465 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,467 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,469 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,471 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,473 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,475 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,477 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,479 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,482 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,484 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,486 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,488 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,491 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,493 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,495 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,498 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,500 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,502 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,505 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,507 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,509 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,511 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,513 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,516 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,518 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,520 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,522 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,524 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,527 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,529 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,531 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,533 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,535 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,537 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,540 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,542 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:31,544 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,545 copying xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,548 copying xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,551 copying xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,554 copying xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,556 copying xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,559 copying xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,561 copying xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,563 copying xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,565 copying xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,567 copying xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,570 copying xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,572 copying xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,575 copying xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,577 copying xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,579 copying xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,581 copying xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,583 copying xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,585 copying xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:31,587 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:41:31,589 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:41:31,591 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:41:31,594 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:41:31,596 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:41:31,598 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:41:31,600 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,602 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,604 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,606 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,608 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,610 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,612 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,615 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,617 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,619 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,621 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,624 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,626 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,628 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,630 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,633 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,635 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,637 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,639 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:31,641 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,642 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,645 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,647 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,649 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,651 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,653 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,655 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,657 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,660 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,662 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,664 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,666 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,669 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,671 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,673 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,675 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,677 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,680 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,682 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,684 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,686 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,689 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,691 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,693 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,696 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,698 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,700 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,702 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,704 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,706 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,708 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,711 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,713 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,715 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,717 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,719 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,722 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,724 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,726 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:31,728 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,729 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,732 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,734 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,736 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,739 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,741 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,743 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,745 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,748 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,750 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,752 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,755 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,757 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,759 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,761 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,763 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:31,765 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,767 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,769 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,771 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,773 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,776 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,778 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,780 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,782 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,785 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,787 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,789 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,791 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,794 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,796 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,799 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,801 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,803 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,806 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,808 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,811 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,813 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,815 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,817 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,820 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,822 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,824 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,826 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,829 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,831 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,833 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,835 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,837 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,839 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,842 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,844 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,846 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,848 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,850 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,853 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,855 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,857 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,859 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,862 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,864 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,866 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,868 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,870 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,873 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,875 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,877 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,879 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,881 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:31,883 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,885 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,887 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,889 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,891 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,894 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,896 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,898 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,900 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,903 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,905 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,907 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,909 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,911 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,914 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,916 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,918 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,920 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,922 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,925 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,927 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,929 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,931 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,934 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,936 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,938 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,940 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,942 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,944 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,946 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,948 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,951 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,953 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,956 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:31,958 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,959 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,961 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,963 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,966 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,968 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,970 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,972 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,974 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,977 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,979 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,981 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,983 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,986 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,988 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,990 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,992 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,995 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:31,997 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,000 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,002 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,004 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,006 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,008 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,010 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,012 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,014 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,016 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,018 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,021 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,023 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,025 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,027 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,030 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,032 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,034 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,036 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,038 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,040 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,043 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,045 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,047 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,049 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,051 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,053 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:32,056 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,057 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,059 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,062 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,064 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,066 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,068 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,070 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,072 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,074 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,077 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,079 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,081 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,083 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,086 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,088 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,091 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,093 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,096 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,098 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,101 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,103 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,105 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,108 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,110 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,112 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,114 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,117 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,119 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,121 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,123 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,125 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,127 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,130 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,132 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,134 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,137 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,140 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,143 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,145 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,147 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,149 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,151 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,154 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,156 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,158 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,160 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,163 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,165 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,167 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,169 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,172 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,174 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,176 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,178 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,180 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,182 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,184 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,188 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,190 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,192 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,194 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,196 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,198 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,201 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,203 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,205 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,207 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,209 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,212 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,214 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,216 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,218 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,220 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,222 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,225 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,227 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,229 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,231 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,234 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,236 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,238 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,240 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,242 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,244 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,247 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,249 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,251 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,253 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,255 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,257 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,260 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,262 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,264 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,266 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,268 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,271 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,273 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,275 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,277 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,280 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,282 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,284 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,287 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,289 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,291 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,293 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,295 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,297 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,299 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,301 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,304 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,306 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,308 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,310 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,312 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,315 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,317 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,319 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,321 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,324 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,326 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,328 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,330 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,333 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,335 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,337 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,339 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,341 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,344 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,346 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,348 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,350 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,352 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,355 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,357 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,359 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,361 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,363 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,366 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,369 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,371 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,373 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,375 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,378 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,380 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,382 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,384 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,387 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,389 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,391 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,393 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,395 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,398 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,400 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,402 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,404 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,406 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,408 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,411 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,413 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,415 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,418 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,420 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,422 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,424 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,426 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,428 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,431 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,433 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,436 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,438 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,440 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,443 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,445 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,447 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,449 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,451 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,453 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,456 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,458 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,460 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,462 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,465 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,467 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,469 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,472 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,474 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,477 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,479 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,482 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,484 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,486 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,489 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,491 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,493 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,495 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,497 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,499 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,501 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,504 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,506 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,508 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,510 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,512 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,514 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,517 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,519 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,521 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,523 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,526 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:32,527 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,529 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,531 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,533 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,535 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,537 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,540 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,542 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,544 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,547 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,550 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,552 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,555 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,557 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,559 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,561 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,563 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,566 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,568 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,572 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,574 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,576 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,578 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,580 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,582 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,585 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,587 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,590 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,592 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,595 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,597 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,599 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,601 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,604 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,606 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,608 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,610 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,613 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,617 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,620 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,622 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,625 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,627 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,630 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,633 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,636 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,638 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,641 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,643 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,645 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,647 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,650 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,652 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,654 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,657 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,659 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,661 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,663 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,666 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,668 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,670 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,672 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,675 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,677 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,680 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,682 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,685 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,687 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,689 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,691 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,693 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,696 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:32,698 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,699 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,701 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,703 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,705 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,708 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,710 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,712 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,714 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,716 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,719 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,721 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,723 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,725 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,727 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,730 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,732 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,734 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,736 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,739 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,741 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,743 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,745 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,747 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,750 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,752 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,754 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,757 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,759 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,761 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,763 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,765 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,767 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,769 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,771 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,774 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,776 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,778 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:32,780 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,781 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,784 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,786 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,788 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,790 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,793 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,795 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,797 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,799 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,801 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,803 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,806 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,808 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,810 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,812 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,814 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,816 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,819 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,821 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,823 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,825 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,827 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,829 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,831 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,833 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,836 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,838 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,840 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,842 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,844 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,847 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,849 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,851 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,853 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,855 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,857 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,859 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,861 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,864 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,866 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,868 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,871 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,873 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,875 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,877 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,879 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,881 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,883 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,886 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,888 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,890 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,892 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,894 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,897 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,899 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,901 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,903 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,906 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,908 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,910 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,912 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,915 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,917 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,919 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,921 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,924 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,926 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,928 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,930 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,933 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,935 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,937 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,939 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,941 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,943 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,945 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,947 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,950 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,952 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,954 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,957 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,960 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,962 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,964 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,967 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,969 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,971 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,974 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,976 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,978 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,980 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,982 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,985 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,987 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,990 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,992 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,994 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,997 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:32,999 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,002 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,004 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,006 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,008 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,010 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,012 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,015 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,017 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,019 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,021 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,023 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,026 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,028 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,030 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,032 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,034 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,036 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,038 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,041 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,043 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,045 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,047 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,049 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,051 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,054 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,056 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,058 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,060 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,062 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,065 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:33,066 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:33,068 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:33,070 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:33,072 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:33,074 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:33,077 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:33,079 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:33,081 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:33,083 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:33,086 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,087 copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,089 copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,091 copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,093 copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,096 copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,098 copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,100 copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,102 copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,104 copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,107 copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,109 copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,111 copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,113 copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,116 copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,118 copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,120 copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,122 copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,124 copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,126 copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,128 copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,131 copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,133 copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,135 copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,137 copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,139 copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,141 copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,143 copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,146 copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,148 copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,150 copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,152 copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,154 copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,156 copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,159 copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,161 copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,163 copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,165 copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,168 copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,170 copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,172 copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,175 copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,177 copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,179 copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,181 copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,183 copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,185 copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,187 copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,190 copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,192 copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,194 copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,196 copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,198 copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,200 copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,203 copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,205 copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,207 copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,209 copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,211 copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,213 copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,215 copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,218 copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,220 copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,222 copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,224 copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,226 copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,228 copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,231 copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,233 copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,235 copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,237 copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,239 copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,241 copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,243 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,244 copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,246 copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,249 copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,251 copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,253 copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,255 copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,257 copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,259 copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,261 copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,264 copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,266 copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,268 copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,270 copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,273 copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,275 copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,277 copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,279 copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,282 copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,284 copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,286 copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,288 copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,290 copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,293 copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,295 copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,297 copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,299 copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,301 copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,303 copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,305 copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,308 copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,310 copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,312 copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,314 copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,316 copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,318 copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,321 copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,324 copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,326 copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,328 copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,330 copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,332 copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,335 copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,337 copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,339 copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,342 copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,344 copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,347 copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,349 copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,351 copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,354 copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,569 copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,571 copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,574 copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,576 copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,578 copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,580 copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,582 copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,584 copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,587 copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,589 copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,591 copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,594 copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,596 copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:33,598 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,600 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,602 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,604 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,606 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,609 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,611 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,613 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,616 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,618 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,620 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,623 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,625 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,627 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,630 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,633 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,635 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,638 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,640 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,642 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,645 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,647 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,649 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,651 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,654 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,656 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,659 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,661 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,664 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,667 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,670 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,672 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,675 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,677 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,679 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,682 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,684 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,686 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,688 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,690 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,693 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:33,695 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:33,697 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:33,699 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:33,702 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:33,705 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:33,707 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:33,710 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:33,712 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:33,715 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:33,717 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,719 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,722 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,724 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,726 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,728 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,731 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,733 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,735 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,737 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,739 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,742 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,744 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,747 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,749 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,752 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,754 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,756 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,758 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,761 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,763 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,766 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,768 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,770 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,773 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,775 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,777 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,779 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,781 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,783 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,785 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,788 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,790 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,792 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,794 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,797 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,799 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,801 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,803 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,805 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,808 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,810 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,812 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,814 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,817 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,819 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,821 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,824 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,826 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,828 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,830 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,832 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,834 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,837 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,839 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,841 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,843 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,846 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,848 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,850 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,852 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,855 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,857 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,859 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,861 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,864 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,866 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,868 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,870 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,872 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,875 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,877 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,879 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,882 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,884 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,887 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,889 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,891 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,893 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,896 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,898 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,900 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,902 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,905 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,907 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,909 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,911 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,913 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,916 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,918 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,921 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,923 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,925 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,928 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,930 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,932 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,935 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,937 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,939 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,942 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,944 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,947 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,949 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,952 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,954 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,956 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,959 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,961 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,963 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,966 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,968 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,970 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,972 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,975 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,977 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,979 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,981 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,983 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,986 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,988 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,990 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:33,992 creating build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:33,993 copying xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:33,996 copying xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:33,998 copying xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,001 copying xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,003 copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,006 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,008 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,010 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,013 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,015 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,017 copying xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,020 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,023 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,026 copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,028 copying xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,031 copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,034 copying xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,038 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,042 copying xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,052 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,058 copying xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,061 copying xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,063 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,066 copying xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,069 copying xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,072 copying xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,077 copying xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,080 copying xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,082 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,085 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,089 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,095 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,103 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,106 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,109 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,112 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,115 copying xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,118 copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,121 copying xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,124 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,126 copying xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,130 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,132 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,135 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,137 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,139 copying xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,142 copying xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,144 copying xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,147 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,150 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,152 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,155 copying xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,157 copying xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,160 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,162 copying xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,164 copying xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,167 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,170 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,173 copying xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,175 copying xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,178 copying xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,181 copying xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,185 copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,188 copying xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,191 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,193 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,196 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,198 copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,200 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,203 copying xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,206 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,208 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,211 copying xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,214 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,229 copying xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,236 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,242 copying xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,249 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:34,253 copying xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/lib/xcbm/MGCDB84_Dataset 2026-02-10T11:41:34,265 creating build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,266 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,268 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,271 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,273 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,275 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,277 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,279 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,282 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,284 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MCONF.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,286 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,288 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PCONF21.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,290 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,293 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,295 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,297 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,299 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,301 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,304 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,306 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_NBPRC.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,309 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_C60ISO.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,311 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,313 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISOL24.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,315 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,317 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,319 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,321 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SLIM05.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,323 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,326 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,328 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,330 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,332 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IDISP.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,334 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,336 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,338 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,340 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,343 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,345 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,347 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,350 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,353 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,355 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,357 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DC13.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,359 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RC21.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,361 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,363 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S22.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,366 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,368 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_UPU23.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,370 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,373 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,375 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PArel.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,377 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SCONF.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,379 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,381 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,383 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DARC.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,386 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,388 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:34,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S22.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PArel.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:34,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DC13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RC21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:34,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,719 creating build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,720 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PCONF21.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,722 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,724 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,727 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_UPU23.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,729 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,731 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,733 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,735 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,737 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,739 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,741 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,744 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,746 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SCONF.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,748 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,750 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,752 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,754 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,757 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,759 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,761 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISOL24.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,763 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,765 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,767 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,769 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,771 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,773 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,776 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,778 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,780 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,782 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,785 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IDISP.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,787 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SLIM05.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,789 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,791 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,793 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,796 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,798 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MCONF.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,800 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,802 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DARC.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,804 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_NBPRC.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,806 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,808 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,810 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,812 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,814 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,817 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,819 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,821 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,823 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,825 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_C60ISO.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,828 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,830 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,833 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,836 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,839 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,842 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:34,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:34,974 copying xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/lib/xcbm/MGCDB84_Dataset 2026-02-10T11:41:51,055 installing to build/bdist.linux-armv7l/wheel 2026-02-10T11:41:51,056 running install 2026-02-10T11:41:51,080 running install_lib 2026-02-10T11:41:51,086 creating build/bdist.linux-armv7l/wheel 2026-02-10T11:41:51,088 creating build/bdist.linux-armv7l/wheel/xcbm 2026-02-10T11:41:51,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset 2026-02-10T11:41:51,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,095 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,097 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,099 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,101 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,103 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,105 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,107 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,109 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,111 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MCONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,113 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,115 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PCONF21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,117 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,119 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,122 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,124 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,126 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,128 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,130 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,132 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_NBPRC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,134 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_C60ISO.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,136 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,138 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISOL24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,140 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,143 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,145 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,147 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SLIM05.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,149 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,151 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,154 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,156 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,158 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IDISP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,161 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,163 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,165 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,167 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,169 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,171 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,173 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,175 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,177 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,180 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,182 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DC13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,184 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RC21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,186 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,189 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S22.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,191 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,194 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_UPU23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,196 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,198 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,200 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PArel.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,202 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SCONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,203 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,205 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,207 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DARC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,208 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,210 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:51,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20 2026-02-10T11:41:51,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,215 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,217 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,219 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,221 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,222 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,224 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,226 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,228 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,230 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,231 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,233 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,235 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,237 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,238 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,240 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,242 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,243 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,245 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,247 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,248 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,250 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,252 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,253 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,255 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,257 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,259 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,262 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,264 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S22.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,265 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,267 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,269 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,271 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PArel.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,272 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,274 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,276 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:51,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES 2026-02-10T11:41:51,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18 2026-02-10T11:41:51,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2 2026-02-10T11:41:51,283 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 2026-02-10T11:41:51,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr 2026-02-10T11:41:51,287 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 2026-02-10T11:41:51,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr 2026-02-10T11:41:51,290 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 2026-02-10T11:41:51,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2 2026-02-10T11:41:51,294 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 2026-02-10T11:41:51,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe 2026-02-10T11:41:51,297 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 2026-02-10T11:41:51,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3 2026-02-10T11:41:51,301 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 2026-02-10T11:41:51,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2 2026-02-10T11:41:51,304 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 2026-02-10T11:41:51,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:41:51,308 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 2026-02-10T11:41:51,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6 2026-02-10T11:41:51,312 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 2026-02-10T11:41:51,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe 2026-02-10T11:41:51,316 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 2026-02-10T11:41:51,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3 2026-02-10T11:41:51,319 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 2026-02-10T11:41:51,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf 2026-02-10T11:41:51,323 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 2026-02-10T11:41:51,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6 2026-02-10T11:41:51,327 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 2026-02-10T11:41:51,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr 2026-02-10T11:41:51,330 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 2026-02-10T11:41:51,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr 2026-02-10T11:41:51,334 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 2026-02-10T11:41:51,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne 2026-02-10T11:41:51,338 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 2026-02-10T11:41:51,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:41:51,341 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 2026-02-10T11:41:51,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3 2026-02-10T11:41:51,344 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 2026-02-10T11:41:51,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz 2026-02-10T11:41:51,348 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 2026-02-10T11:41:51,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4 2026-02-10T11:41:51,351 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 2026-02-10T11:41:51,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar 2026-02-10T11:41:51,355 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 2026-02-10T11:41:51,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:41:51,358 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 2026-02-10T11:41:51,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2 2026-02-10T11:41:51,362 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 2026-02-10T11:41:51,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4 2026-02-10T11:41:51,365 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 2026-02-10T11:41:51,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:41:51,368 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 2026-02-10T11:41:51,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18 2026-02-10T11:41:51,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1 2026-02-10T11:41:51,374 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 2026-02-10T11:41:51,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:41:51,377 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 2026-02-10T11:41:51,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2 2026-02-10T11:41:51,381 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 2026-02-10T11:41:51,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:41:51,384 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 2026-02-10T11:41:51,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:41:51,388 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 2026-02-10T11:41:51,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8 2026-02-10T11:41:51,391 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 2026-02-10T11:41:51,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9 2026-02-10T11:41:51,395 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 2026-02-10T11:41:51,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1 2026-02-10T11:41:51,398 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 2026-02-10T11:41:51,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2 2026-02-10T11:41:51,402 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 2026-02-10T11:41:51,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:41:51,405 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 2026-02-10T11:41:51,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7 2026-02-10T11:41:51,408 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 2026-02-10T11:41:51,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5 2026-02-10T11:41:51,411 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 2026-02-10T11:41:51,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:41:51,415 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 2026-02-10T11:41:51,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5 2026-02-10T11:41:51,418 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 2026-02-10T11:41:51,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4 2026-02-10T11:41:51,422 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 2026-02-10T11:41:51,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o 2026-02-10T11:41:51,425 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 2026-02-10T11:41:51,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:41:51,428 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 2026-02-10T11:41:51,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9 2026-02-10T11:41:51,432 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 2026-02-10T11:41:51,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3 2026-02-10T11:41:51,435 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 2026-02-10T11:41:51,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3 2026-02-10T11:41:51,438 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 2026-02-10T11:41:51,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:41:51,442 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 2026-02-10T11:41:51,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4 2026-02-10T11:41:51,445 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 2026-02-10T11:41:51,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:41:51,448 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 2026-02-10T11:41:51,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8 2026-02-10T11:41:51,451 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 2026-02-10T11:41:51,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6 2026-02-10T11:41:51,455 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 2026-02-10T11:41:51,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7 2026-02-10T11:41:51,458 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 2026-02-10T11:41:51,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6 2026-02-10T11:41:51,461 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 2026-02-10T11:41:51,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:41:51,465 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 2026-02-10T11:41:51,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21 2026-02-10T11:41:51,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1 2026-02-10T11:41:51,471 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 2026-02-10T11:41:51,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A 2026-02-10T11:41:51,474 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 2026-02-10T11:41:51,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B 2026-02-10T11:41:51,478 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 2026-02-10T11:41:51,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A 2026-02-10T11:41:51,481 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 2026-02-10T11:41:51,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B 2026-02-10T11:41:51,484 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 2026-02-10T11:41:51,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B 2026-02-10T11:41:51,488 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 2026-02-10T11:41:51,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4 2026-02-10T11:41:51,491 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 2026-02-10T11:41:51,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A 2026-02-10T11:41:51,494 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 2026-02-10T11:41:51,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A 2026-02-10T11:41:51,498 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 2026-02-10T11:41:51,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12 2026-02-10T11:41:51,501 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 2026-02-10T11:41:51,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A 2026-02-10T11:41:51,504 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 2026-02-10T11:41:51,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18 2026-02-10T11:41:51,507 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 2026-02-10T11:41:51,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A 2026-02-10T11:41:51,511 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 2026-02-10T11:41:51,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13 2026-02-10T11:41:51,514 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 2026-02-10T11:41:51,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A 2026-02-10T11:41:51,517 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 2026-02-10T11:41:51,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B 2026-02-10T11:41:51,521 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 2026-02-10T11:41:51,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A 2026-02-10T11:41:51,524 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 2026-02-10T11:41:51,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A 2026-02-10T11:41:51,527 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 2026-02-10T11:41:51,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B 2026-02-10T11:41:51,530 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 2026-02-10T11:41:51,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A 2026-02-10T11:41:51,534 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 2026-02-10T11:41:51,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A 2026-02-10T11:41:51,537 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 2026-02-10T11:41:51,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20 2026-02-10T11:41:51,541 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 2026-02-10T11:41:51,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3 2026-02-10T11:41:51,544 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 2026-02-10T11:41:51,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A 2026-02-10T11:41:51,547 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 2026-02-10T11:41:51,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B 2026-02-10T11:41:51,551 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 2026-02-10T11:41:51,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A 2026-02-10T11:41:51,555 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 2026-02-10T11:41:51,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B 2026-02-10T11:41:51,558 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 2026-02-10T11:41:51,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A 2026-02-10T11:41:51,561 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 2026-02-10T11:41:51,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B 2026-02-10T11:41:51,565 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 2026-02-10T11:41:51,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16 2026-02-10T11:41:51,570 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 2026-02-10T11:41:51,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B 2026-02-10T11:41:51,574 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 2026-02-10T11:41:51,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B 2026-02-10T11:41:51,578 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 2026-02-10T11:41:51,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A 2026-02-10T11:41:51,582 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 2026-02-10T11:41:51,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B 2026-02-10T11:41:51,586 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 2026-02-10T11:41:51,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A 2026-02-10T11:41:51,590 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 2026-02-10T11:41:51,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B 2026-02-10T11:41:51,595 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 2026-02-10T11:41:51,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B 2026-02-10T11:41:51,599 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 2026-02-10T11:41:51,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9 2026-02-10T11:41:51,603 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 2026-02-10T11:41:51,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A 2026-02-10T11:41:51,608 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 2026-02-10T11:41:51,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A 2026-02-10T11:41:51,612 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 2026-02-10T11:41:51,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A 2026-02-10T11:41:51,617 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 2026-02-10T11:41:51,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7 2026-02-10T11:41:51,621 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 2026-02-10T11:41:51,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10 2026-02-10T11:41:51,625 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 2026-02-10T11:41:51,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B 2026-02-10T11:41:51,630 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 2026-02-10T11:41:51,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6 2026-02-10T11:41:51,635 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 2026-02-10T11:41:51,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B 2026-02-10T11:41:51,639 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 2026-02-10T11:41:51,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A 2026-02-10T11:41:51,643 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 2026-02-10T11:41:51,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A 2026-02-10T11:41:51,647 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 2026-02-10T11:41:51,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B 2026-02-10T11:41:51,651 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 2026-02-10T11:41:51,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B 2026-02-10T11:41:51,656 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 2026-02-10T11:41:51,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B 2026-02-10T11:41:51,660 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 2026-02-10T11:41:51,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11 2026-02-10T11:41:51,664 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 2026-02-10T11:41:51,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B 2026-02-10T11:41:51,668 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 2026-02-10T11:41:51,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5 2026-02-10T11:41:51,671 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 2026-02-10T11:41:51,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15 2026-02-10T11:41:51,675 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 2026-02-10T11:41:51,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B 2026-02-10T11:41:51,679 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 2026-02-10T11:41:51,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17 2026-02-10T11:41:51,682 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 2026-02-10T11:41:51,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21 2026-02-10T11:41:51,685 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 2026-02-10T11:41:51,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B 2026-02-10T11:41:51,689 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 2026-02-10T11:41:51,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2 2026-02-10T11:41:51,692 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 2026-02-10T11:41:51,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14 2026-02-10T11:41:51,696 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 2026-02-10T11:41:51,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19 2026-02-10T11:41:51,699 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 2026-02-10T11:41:51,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8 2026-02-10T11:41:51,702 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 2026-02-10T11:41:51,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI 2026-02-10T11:41:51,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts 2026-02-10T11:41:51,709 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 2026-02-10T11:41:51,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1 2026-02-10T11:41:51,713 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 2026-02-10T11:41:51,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6 2026-02-10T11:41:51,716 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 2026-02-10T11:41:51,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:41:51,720 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 2026-02-10T11:41:51,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts 2026-02-10T11:41:51,724 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 2026-02-10T11:41:51,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6 2026-02-10T11:41:51,727 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 2026-02-10T11:41:51,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r 2026-02-10T11:41:51,731 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 2026-02-10T11:41:51,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:41:51,734 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 2026-02-10T11:41:51,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:41:51,738 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 2026-02-10T11:41:51,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:41:51,741 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 2026-02-10T11:41:51,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:41:51,745 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 2026-02-10T11:41:51,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7 2026-02-10T11:41:51,749 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 2026-02-10T11:41:51,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:41:51,752 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 2026-02-10T11:41:51,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r 2026-02-10T11:41:51,756 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 2026-02-10T11:41:51,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5 2026-02-10T11:41:51,759 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 2026-02-10T11:41:51,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r 2026-02-10T11:41:51,763 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 2026-02-10T11:41:51,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3 2026-02-10T11:41:51,767 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 2026-02-10T11:41:51,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:41:51,771 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 2026-02-10T11:41:51,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:41:51,774 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 2026-02-10T11:41:51,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:41:51,777 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 2026-02-10T11:41:51,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts 2026-02-10T11:41:51,780 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 2026-02-10T11:41:51,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:41:51,784 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 2026-02-10T11:41:51,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts 2026-02-10T11:41:51,787 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 2026-02-10T11:41:51,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5 2026-02-10T11:41:51,791 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 2026-02-10T11:41:51,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2 2026-02-10T11:41:51,794 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 2026-02-10T11:41:51,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:41:51,797 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 2026-02-10T11:41:51,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3 2026-02-10T11:41:51,801 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 2026-02-10T11:41:51,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11 2026-02-10T11:41:51,804 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 2026-02-10T11:41:51,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:41:51,808 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 2026-02-10T11:41:51,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts 2026-02-10T11:41:51,811 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 2026-02-10T11:41:51,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts 2026-02-10T11:41:51,814 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 2026-02-10T11:41:51,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:41:51,817 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 2026-02-10T11:41:51,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:41:51,820 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 2026-02-10T11:41:51,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:41:51,824 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 2026-02-10T11:41:51,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts 2026-02-10T11:41:51,827 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 2026-02-10T11:41:51,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r 2026-02-10T11:41:51,830 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 2026-02-10T11:41:51,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:41:51,833 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 2026-02-10T11:41:51,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r 2026-02-10T11:41:51,837 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 2026-02-10T11:41:51,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:41:51,840 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 2026-02-10T11:41:51,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts 2026-02-10T11:41:51,844 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 2026-02-10T11:41:51,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4 2026-02-10T11:41:51,847 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 2026-02-10T11:41:51,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8 2026-02-10T11:41:51,851 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 2026-02-10T11:41:51,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:41:51,854 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 2026-02-10T11:41:51,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:41:51,857 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 2026-02-10T11:41:51,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4 2026-02-10T11:41:51,861 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 2026-02-10T11:41:51,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9 2026-02-10T11:41:51,864 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 2026-02-10T11:41:51,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r 2026-02-10T11:41:51,867 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 2026-02-10T11:41:51,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:41:51,871 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 2026-02-10T11:41:51,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts 2026-02-10T11:41:51,874 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 2026-02-10T11:41:51,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7 2026-02-10T11:41:51,877 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 2026-02-10T11:41:51,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:41:51,880 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 2026-02-10T11:41:51,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8 2026-02-10T11:41:51,884 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 2026-02-10T11:41:51,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:41:51,887 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 2026-02-10T11:41:51,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10 2026-02-10T11:41:51,890 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 2026-02-10T11:41:51,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:41:51,894 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 2026-02-10T11:41:51,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r 2026-02-10T11:41:51,897 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 2026-02-10T11:41:51,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r 2026-02-10T11:41:51,901 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 2026-02-10T11:41:51,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9 2026-02-10T11:41:51,904 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 2026-02-10T11:41:51,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:41:51,907 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 2026-02-10T11:41:51,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1 2026-02-10T11:41:51,911 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 2026-02-10T11:41:51,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2 2026-02-10T11:41:51,914 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 2026-02-10T11:41:51,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF 2026-02-10T11:41:51,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13 2026-02-10T11:41:51,919 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 2026-02-10T11:41:51,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15 2026-02-10T11:41:51,922 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 2026-02-10T11:41:51,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8 2026-02-10T11:41:51,926 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 2026-02-10T11:41:51,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2 2026-02-10T11:41:51,929 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 2026-02-10T11:41:51,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1 2026-02-10T11:41:51,933 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 2026-02-10T11:41:51,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11 2026-02-10T11:41:51,936 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 2026-02-10T11:41:51,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4 2026-02-10T11:41:51,940 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 2026-02-10T11:41:51,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7 2026-02-10T11:41:51,943 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 2026-02-10T11:41:51,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3 2026-02-10T11:41:51,947 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 2026-02-10T11:41:51,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12 2026-02-10T11:41:51,950 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 2026-02-10T11:41:51,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4 2026-02-10T11:41:51,953 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 2026-02-10T11:41:51,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5 2026-02-10T11:41:51,957 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 2026-02-10T11:41:51,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6 2026-02-10T11:41:51,960 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 2026-02-10T11:41:51,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1 2026-02-10T11:41:51,964 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 2026-02-10T11:41:51,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10 2026-02-10T11:41:51,967 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 2026-02-10T11:41:51,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3 2026-02-10T11:41:51,971 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 2026-02-10T11:41:51,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14 2026-02-10T11:41:51,974 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 2026-02-10T11:41:51,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2 2026-02-10T11:41:51,977 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 2026-02-10T11:41:51,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9 2026-02-10T11:41:51,981 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 2026-02-10T11:41:51,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF 2026-02-10T11:41:51,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1 2026-02-10T11:41:51,988 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 2026-02-10T11:41:51,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36 2026-02-10T11:41:51,992 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 2026-02-10T11:41:51,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4 2026-02-10T11:41:51,997 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 2026-02-10T11:41:51,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12 2026-02-10T11:41:52,000 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 2026-02-10T11:41:52,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27 2026-02-10T11:41:52,004 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 2026-02-10T11:41:52,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18 2026-02-10T11:41:52,008 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 2026-02-10T11:41:52,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34 2026-02-10T11:41:52,012 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 2026-02-10T11:41:52,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13 2026-02-10T11:41:52,015 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 2026-02-10T11:41:52,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48 2026-02-10T11:41:52,019 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 2026-02-10T11:41:52,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45 2026-02-10T11:41:52,024 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 2026-02-10T11:41:52,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46 2026-02-10T11:41:52,029 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 2026-02-10T11:41:52,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38 2026-02-10T11:41:52,033 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 2026-02-10T11:41:52,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49 2026-02-10T11:41:52,036 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 2026-02-10T11:41:52,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20 2026-02-10T11:41:52,040 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 2026-02-10T11:41:52,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3 2026-02-10T11:41:52,043 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 2026-02-10T11:41:52,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41 2026-02-10T11:41:52,047 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 2026-02-10T11:41:52,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16 2026-02-10T11:41:52,051 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 2026-02-10T11:41:52,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44 2026-02-10T11:41:52,054 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 2026-02-10T11:41:52,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25 2026-02-10T11:41:52,058 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 2026-02-10T11:41:52,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30 2026-02-10T11:41:52,061 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 2026-02-10T11:41:52,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9 2026-02-10T11:41:52,065 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 2026-02-10T11:41:52,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43 2026-02-10T11:41:52,068 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 2026-02-10T11:41:52,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37 2026-02-10T11:41:52,071 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 2026-02-10T11:41:52,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22 2026-02-10T11:41:52,075 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 2026-02-10T11:41:52,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7 2026-02-10T11:41:52,078 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 2026-02-10T11:41:52,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23 2026-02-10T11:41:52,082 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 2026-02-10T11:41:52,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10 2026-02-10T11:41:52,086 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 2026-02-10T11:41:52,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47 2026-02-10T11:41:52,089 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 2026-02-10T11:41:52,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28 2026-02-10T11:41:52,093 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 2026-02-10T11:41:52,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26 2026-02-10T11:41:52,096 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 2026-02-10T11:41:52,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6 2026-02-10T11:41:52,100 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 2026-02-10T11:41:52,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40 2026-02-10T11:41:52,103 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 2026-02-10T11:41:52,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50 2026-02-10T11:41:52,107 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 2026-02-10T11:41:52,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51 2026-02-10T11:41:52,111 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 2026-02-10T11:41:52,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11 2026-02-10T11:41:52,115 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 2026-02-10T11:41:52,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32 2026-02-10T11:41:52,118 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 2026-02-10T11:41:52,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5 2026-02-10T11:41:52,122 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 2026-02-10T11:41:52,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24 2026-02-10T11:41:52,127 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 2026-02-10T11:41:52,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15 2026-02-10T11:41:52,132 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 2026-02-10T11:41:52,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17 2026-02-10T11:41:52,138 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 2026-02-10T11:41:52,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21 2026-02-10T11:41:52,142 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 2026-02-10T11:41:52,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52 2026-02-10T11:41:52,146 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 2026-02-10T11:41:52,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42 2026-02-10T11:41:52,150 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 2026-02-10T11:41:52,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2 2026-02-10T11:41:52,153 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 2026-02-10T11:41:52,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39 2026-02-10T11:41:52,157 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 2026-02-10T11:41:52,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35 2026-02-10T11:41:52,160 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 2026-02-10T11:41:52,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14 2026-02-10T11:41:52,164 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 2026-02-10T11:41:52,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19 2026-02-10T11:41:52,167 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 2026-02-10T11:41:52,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33 2026-02-10T11:41:52,171 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 2026-02-10T11:41:52,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29 2026-02-10T11:41:52,174 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 2026-02-10T11:41:52,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8 2026-02-10T11:41:52,177 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 2026-02-10T11:41:52,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31 2026-02-10T11:41:52,181 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 2026-02-10T11:41:52,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6 2026-02-10T11:41:52,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A 2026-02-10T11:41:52,186 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 2026-02-10T11:41:52,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A 2026-02-10T11:41:52,189 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 2026-02-10T11:41:52,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27 2026-02-10T11:41:52,192 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 2026-02-10T11:41:52,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B 2026-02-10T11:41:52,196 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 2026-02-10T11:41:52,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A 2026-02-10T11:41:52,199 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 2026-02-10T11:41:52,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B 2026-02-10T11:41:52,202 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 2026-02-10T11:41:52,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A 2026-02-10T11:41:52,206 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 2026-02-10T11:41:52,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25 2026-02-10T11:41:52,210 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 2026-02-10T11:41:52,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22 2026-02-10T11:41:52,213 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 2026-02-10T11:41:52,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23 2026-02-10T11:41:52,217 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 2026-02-10T11:41:52,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A 2026-02-10T11:41:52,220 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 2026-02-10T11:41:52,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A 2026-02-10T11:41:52,223 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 2026-02-10T11:41:52,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B 2026-02-10T11:41:52,227 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 2026-02-10T11:41:52,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26 2026-02-10T11:41:52,230 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 2026-02-10T11:41:52,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B 2026-02-10T11:41:52,233 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 2026-02-10T11:41:52,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24 2026-02-10T11:41:52,237 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 2026-02-10T11:41:52,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B 2026-02-10T11:41:52,240 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 2026-02-10T11:41:52,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B 2026-02-10T11:41:52,243 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 2026-02-10T11:41:52,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8 2026-02-10T11:41:52,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me 2026-02-10T11:41:52,248 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 2026-02-10T11:41:52,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+ 2026-02-10T11:41:52,252 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+ 2026-02-10T11:41:52,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8 2026-02-10T11:41:52,255 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 2026-02-10T11:41:52,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+ 2026-02-10T11:41:52,258 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+ 2026-02-10T11:41:52,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch 2026-02-10T11:41:52,261 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 2026-02-10T11:41:52,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:41:52,265 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 2026-02-10T11:41:52,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c 2026-02-10T11:41:52,268 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 2026-02-10T11:41:52,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:41:52,272 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 2026-02-10T11:41:52,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:41:52,275 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 2026-02-10T11:41:52,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me 2026-02-10T11:41:52,279 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 2026-02-10T11:41:52,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h 2026-02-10T11:41:52,282 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 2026-02-10T11:41:52,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2 2026-02-10T11:41:52,285 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 2026-02-10T11:41:52,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4 2026-02-10T11:41:52,289 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 2026-02-10T11:41:52,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2 2026-02-10T11:41:52,292 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 2026-02-10T11:41:52,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2 2026-02-10T11:41:52,296 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 2026-02-10T11:41:52,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8 2026-02-10T11:41:52,299 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 2026-02-10T11:41:52,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:41:52,302 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 2026-02-10T11:41:52,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO 2026-02-10T11:41:52,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1 2026-02-10T11:41:52,307 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 2026-02-10T11:41:52,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4 2026-02-10T11:41:52,311 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 2026-02-10T11:41:52,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3 2026-02-10T11:41:52,314 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 2026-02-10T11:41:52,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9 2026-02-10T11:41:52,318 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 2026-02-10T11:41:52,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7 2026-02-10T11:41:52,321 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 2026-02-10T11:41:52,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10 2026-02-10T11:41:52,325 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 2026-02-10T11:41:52,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6 2026-02-10T11:41:52,328 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 2026-02-10T11:41:52,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5 2026-02-10T11:41:52,332 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 2026-02-10T11:41:52,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2 2026-02-10T11:41:52,336 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 2026-02-10T11:41:52,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8 2026-02-10T11:41:52,339 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 2026-02-10T11:41:52,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76 2026-02-10T11:41:52,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts 2026-02-10T11:41:52,345 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 2026-02-10T11:41:52,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20 2026-02-10T11:41:52,348 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 2026-02-10T11:41:52,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8 2026-02-10T11:41:52,352 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 2026-02-10T11:41:52,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh 2026-02-10T11:41:52,355 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 2026-02-10T11:41:52,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc 2026-02-10T11:41:52,358 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 2026-02-10T11:41:52,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh- 2026-02-10T11:41:52,362 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- 2026-02-10T11:41:52,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19 2026-02-10T11:41:52,365 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 2026-02-10T11:41:52,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts 2026-02-10T11:41:52,369 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 2026-02-10T11:41:52,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:41:52,372 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 2026-02-10T11:41:52,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf 2026-02-10T11:41:52,375 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 2026-02-10T11:41:52,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co 2026-02-10T11:41:52,379 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 2026-02-10T11:41:52,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots 2026-02-10T11:41:52,382 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 2026-02-10T11:41:52,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:41:52,385 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 2026-02-10T11:41:52,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07 2026-02-10T11:41:52,389 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 2026-02-10T11:41:52,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts 2026-02-10T11:41:52,392 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 2026-02-10T11:41:52,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2 2026-02-10T11:41:52,396 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 2026-02-10T11:41:52,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:41:52,399 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 2026-02-10T11:41:52,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4 2026-02-10T11:41:52,402 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 2026-02-10T11:41:52,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f- 2026-02-10T11:41:52,406 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- 2026-02-10T11:41:52,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O 2026-02-10T11:41:52,409 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 2026-02-10T11:41:52,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2 2026-02-10T11:41:52,413 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 2026-02-10T11:41:52,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2 2026-02-10T11:41:52,416 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 2026-02-10T11:41:52,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3 2026-02-10T11:41:52,420 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 2026-02-10T11:41:52,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17 2026-02-10T11:41:52,423 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 2026-02-10T11:41:52,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22 2026-02-10T11:41:52,426 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 2026-02-10T11:41:52,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14 2026-02-10T11:41:52,429 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 2026-02-10T11:41:52,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13 2026-02-10T11:41:52,432 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 2026-02-10T11:41:52,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H 2026-02-10T11:41:52,436 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 2026-02-10T11:41:52,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:41:52,439 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 2026-02-10T11:41:52,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS 2026-02-10T11:41:52,442 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 2026-02-10T11:41:52,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl- 2026-02-10T11:41:52,446 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- 2026-02-10T11:41:52,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:41:52,449 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 2026-02-10T11:41:52,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S 2026-02-10T11:41:52,453 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 2026-02-10T11:41:52,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf 2026-02-10T11:41:52,457 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 2026-02-10T11:41:52,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04 2026-02-10T11:41:52,460 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 2026-02-10T11:41:52,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3 2026-02-10T11:41:52,464 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 2026-02-10T11:41:52,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02 2026-02-10T11:41:52,467 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 2026-02-10T11:41:52,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco 2026-02-10T11:41:52,470 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 2026-02-10T11:41:52,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16 2026-02-10T11:41:52,473 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 2026-02-10T11:41:52,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h 2026-02-10T11:41:52,477 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 2026-02-10T11:41:52,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18 2026-02-10T11:41:52,480 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 2026-02-10T11:41:52,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:41:52,483 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 2026-02-10T11:41:52,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6 2026-02-10T11:41:52,486 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 2026-02-10T11:41:52,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts 2026-02-10T11:41:52,490 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 2026-02-10T11:41:52,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4 2026-02-10T11:41:52,493 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 2026-02-10T11:41:52,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2 2026-02-10T11:41:52,497 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 2026-02-10T11:41:52,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11 2026-02-10T11:41:52,500 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 2026-02-10T11:41:52,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts 2026-02-10T11:41:52,503 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 2026-02-10T11:41:52,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts 2026-02-10T11:41:52,507 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 2026-02-10T11:41:52,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01 2026-02-10T11:41:52,510 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 2026-02-10T11:41:52,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10 2026-02-10T11:41:52,513 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 2026-02-10T11:41:52,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts 2026-02-10T11:41:52,516 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 2026-02-10T11:41:52,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH 2026-02-10T11:41:52,520 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 2026-02-10T11:41:52,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts 2026-02-10T11:41:52,523 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 2026-02-10T11:41:52,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2 2026-02-10T11:41:52,526 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 2026-02-10T11:41:52,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5 2026-02-10T11:41:52,530 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 2026-02-10T11:41:52,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12 2026-02-10T11:41:52,533 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 2026-02-10T11:41:52,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06 2026-02-10T11:41:52,536 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 2026-02-10T11:41:52,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh 2026-02-10T11:41:52,540 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 2026-02-10T11:41:52,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15 2026-02-10T11:41:52,543 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 2026-02-10T11:41:52,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7 2026-02-10T11:41:52,546 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 2026-02-10T11:41:52,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O 2026-02-10T11:41:52,550 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 2026-02-10T11:41:52,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08 2026-02-10T11:41:52,553 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 2026-02-10T11:41:52,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts 2026-02-10T11:41:52,557 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 2026-02-10T11:41:52,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05 2026-02-10T11:41:52,560 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 2026-02-10T11:41:52,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts 2026-02-10T11:41:52,564 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 2026-02-10T11:41:52,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f 2026-02-10T11:41:52,567 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 2026-02-10T11:41:52,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl 2026-02-10T11:41:52,571 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 2026-02-10T11:41:52,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2 2026-02-10T11:41:52,574 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 2026-02-10T11:41:52,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts 2026-02-10T11:41:52,577 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 2026-02-10T11:41:52,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts 2026-02-10T11:41:52,581 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 2026-02-10T11:41:52,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03 2026-02-10T11:41:52,584 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 2026-02-10T11:41:52,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts 2026-02-10T11:41:52,587 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 2026-02-10T11:41:52,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts 2026-02-10T11:41:52,591 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 2026-02-10T11:41:52,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts 2026-02-10T11:41:52,594 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 2026-02-10T11:41:52,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2 2026-02-10T11:41:52,597 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 2026-02-10T11:41:52,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o 2026-02-10T11:41:52,600 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 2026-02-10T11:41:52,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl 2026-02-10T11:41:52,604 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 2026-02-10T11:41:52,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f 2026-02-10T11:41:52,607 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 2026-02-10T11:41:52,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3 2026-02-10T11:41:52,610 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 2026-02-10T11:41:52,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21 2026-02-10T11:41:52,613 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 2026-02-10T11:41:52,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn 2026-02-10T11:41:52,617 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 2026-02-10T11:41:52,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl 2026-02-10T11:41:52,621 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 2026-02-10T11:41:52,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5 2026-02-10T11:41:52,624 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 2026-02-10T11:41:52,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH 2026-02-10T11:41:52,627 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 2026-02-10T11:41:52,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09 2026-02-10T11:41:52,631 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 2026-02-10T11:41:52,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12 2026-02-10T11:41:52,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL 2026-02-10T11:41:52,637 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 2026-02-10T11:41:52,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:41:52,640 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 2026-02-10T11:41:52,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:41:52,643 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 2026-02-10T11:41:52,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N 2026-02-10T11:41:52,647 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 2026-02-10T11:41:52,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:41:52,650 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 2026-02-10T11:41:52,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:41:52,654 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 2026-02-10T11:41:52,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:41:52,658 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 2026-02-10T11:41:52,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:41:52,662 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 2026-02-10T11:41:52,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:41:52,665 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 2026-02-10T11:41:52,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:41:52,669 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 2026-02-10T11:41:52,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:41:52,672 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 2026-02-10T11:41:52,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:41:52,675 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 2026-02-10T11:41:52,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O 2026-02-10T11:41:52,679 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 2026-02-10T11:41:52,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:41:52,682 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 2026-02-10T11:41:52,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N 2026-02-10T11:41:52,685 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 2026-02-10T11:41:52,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N 2026-02-10T11:41:52,688 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 2026-02-10T11:41:52,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:41:52,692 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 2026-02-10T11:41:52,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:41:52,695 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 2026-02-10T11:41:52,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL 2026-02-10T11:41:52,699 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 2026-02-10T11:41:52,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:41:52,702 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 2026-02-10T11:41:52,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:41:52,705 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 2026-02-10T11:41:52,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:41:52,709 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 2026-02-10T11:41:52,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:41:52,712 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 2026-02-10T11:41:52,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:41:52,716 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 2026-02-10T11:41:52,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL 2026-02-10T11:41:52,719 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 2026-02-10T11:41:52,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:41:52,722 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 2026-02-10T11:41:52,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O 2026-02-10T11:41:52,726 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 2026-02-10T11:41:52,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:41:52,729 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 2026-02-10T11:41:52,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O 2026-02-10T11:41:52,732 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 2026-02-10T11:41:52,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:41:52,736 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 2026-02-10T11:41:52,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:41:52,739 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 2026-02-10T11:41:52,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:41:52,742 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 2026-02-10T11:41:52,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:41:52,745 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 2026-02-10T11:41:52,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL 2026-02-10T11:41:52,749 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 2026-02-10T11:41:52,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N 2026-02-10T11:41:52,753 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 2026-02-10T11:41:52,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O 2026-02-10T11:41:52,757 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 2026-02-10T11:41:52,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43 2026-02-10T11:41:52,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37 2026-02-10T11:41:52,765 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 2026-02-10T11:41:52,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41 2026-02-10T11:41:52,769 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 2026-02-10T11:41:52,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25 2026-02-10T11:41:52,772 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 2026-02-10T11:41:52,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39 2026-02-10T11:41:52,776 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 2026-02-10T11:41:52,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45 2026-02-10T11:41:52,780 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 2026-02-10T11:41:52,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24 2026-02-10T11:41:52,783 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 2026-02-10T11:41:52,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23 2026-02-10T11:41:52,787 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 2026-02-10T11:41:52,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19 2026-02-10T11:41:52,790 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 2026-02-10T11:41:52,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21 2026-02-10T11:41:52,793 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 2026-02-10T11:41:52,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45 2026-02-10T11:41:52,797 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 2026-02-10T11:41:52,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26 2026-02-10T11:41:52,800 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 2026-02-10T11:41:52,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40 2026-02-10T11:41:52,804 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 2026-02-10T11:41:52,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44 2026-02-10T11:41:52,807 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 2026-02-10T11:41:52,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37 2026-02-10T11:41:52,811 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 2026-02-10T11:41:52,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9 2026-02-10T11:41:52,814 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 2026-02-10T11:41:52,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3 2026-02-10T11:41:52,818 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 2026-02-10T11:41:52,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6 2026-02-10T11:41:52,821 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 2026-02-10T11:41:52,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4 2026-02-10T11:41:52,826 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 2026-02-10T11:41:52,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20 2026-02-10T11:41:52,829 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 2026-02-10T11:41:52,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27 2026-02-10T11:41:52,833 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 2026-02-10T11:41:52,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43 2026-02-10T11:41:52,837 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 2026-02-10T11:41:52,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6 2026-02-10T11:41:52,840 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 2026-02-10T11:41:52,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36 2026-02-10T11:41:52,844 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 2026-02-10T11:41:52,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26 2026-02-10T11:41:52,847 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 2026-02-10T11:41:52,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36 2026-02-10T11:41:52,851 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 2026-02-10T11:41:52,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30 2026-02-10T11:41:52,855 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 2026-02-10T11:41:52,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22 2026-02-10T11:41:52,858 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 2026-02-10T11:41:52,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10 2026-02-10T11:41:52,861 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 2026-02-10T11:41:52,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20 2026-02-10T11:41:52,865 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 2026-02-10T11:41:52,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11 2026-02-10T11:41:52,868 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 2026-02-10T11:41:52,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7 2026-02-10T11:41:52,872 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 2026-02-10T11:41:52,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34 2026-02-10T11:41:52,876 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 2026-02-10T11:41:52,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7 2026-02-10T11:41:52,880 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 2026-02-10T11:41:52,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32 2026-02-10T11:41:52,884 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 2026-02-10T11:41:52,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30 2026-02-10T11:41:52,888 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 2026-02-10T11:41:52,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44 2026-02-10T11:41:52,891 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 2026-02-10T11:41:52,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42 2026-02-10T11:41:52,895 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 2026-02-10T11:41:52,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1 2026-02-10T11:41:52,899 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 2026-02-10T11:41:52,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12 2026-02-10T11:41:52,903 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 2026-02-10T11:41:52,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4 2026-02-10T11:41:52,907 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 2026-02-10T11:41:52,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43 2026-02-10T11:41:52,912 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 2026-02-10T11:41:52,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15 2026-02-10T11:41:52,916 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 2026-02-10T11:41:52,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15 2026-02-10T11:41:52,920 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 2026-02-10T11:41:52,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2 2026-02-10T11:41:52,923 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 2026-02-10T11:41:52,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22 2026-02-10T11:41:52,927 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 2026-02-10T11:41:52,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23 2026-02-10T11:41:52,930 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 2026-02-10T11:41:52,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38 2026-02-10T11:41:52,933 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 2026-02-10T11:41:52,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24 2026-02-10T11:41:52,937 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 2026-02-10T11:41:52,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16 2026-02-10T11:41:52,940 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 2026-02-10T11:41:52,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34 2026-02-10T11:41:52,944 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 2026-02-10T11:41:52,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10 2026-02-10T11:41:52,947 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 2026-02-10T11:41:52,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17 2026-02-10T11:41:52,950 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 2026-02-10T11:41:52,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17 2026-02-10T11:41:52,954 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 2026-02-10T11:41:52,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3 2026-02-10T11:41:52,957 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 2026-02-10T11:41:52,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35 2026-02-10T11:41:52,961 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 2026-02-10T11:41:52,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21 2026-02-10T11:41:52,964 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 2026-02-10T11:41:52,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27 2026-02-10T11:41:52,967 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 2026-02-10T11:41:52,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13 2026-02-10T11:41:52,971 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 2026-02-10T11:41:52,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5 2026-02-10T11:41:52,974 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 2026-02-10T11:41:52,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31 2026-02-10T11:41:52,978 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 2026-02-10T11:41:52,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35 2026-02-10T11:41:52,981 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 2026-02-10T11:41:52,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8 2026-02-10T11:41:52,985 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 2026-02-10T11:41:52,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29 2026-02-10T11:41:52,988 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 2026-02-10T11:41:52,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1 2026-02-10T11:41:52,992 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 2026-02-10T11:41:52,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2 2026-02-10T11:41:52,995 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 2026-02-10T11:41:52,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42 2026-02-10T11:41:52,998 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 2026-02-10T11:41:53,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5 2026-02-10T11:41:53,002 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 2026-02-10T11:41:53,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33 2026-02-10T11:41:53,005 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 2026-02-10T11:41:53,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38 2026-02-10T11:41:53,009 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 2026-02-10T11:41:53,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31 2026-02-10T11:41:53,012 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 2026-02-10T11:41:53,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33 2026-02-10T11:41:53,016 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 2026-02-10T11:41:53,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16 2026-02-10T11:41:53,019 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 2026-02-10T11:41:53,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9 2026-02-10T11:41:53,023 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 2026-02-10T11:41:53,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11 2026-02-10T11:41:53,026 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 2026-02-10T11:41:53,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12 2026-02-10T11:41:53,030 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 2026-02-10T11:41:53,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8 2026-02-10T11:41:53,033 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 2026-02-10T11:41:53,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29 2026-02-10T11:41:53,036 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 2026-02-10T11:41:53,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25 2026-02-10T11:41:53,040 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 2026-02-10T11:41:53,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13 2026-02-10T11:41:53,043 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 2026-02-10T11:41:53,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40 2026-02-10T11:41:53,047 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 2026-02-10T11:41:53,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28 2026-02-10T11:41:53,051 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 2026-02-10T11:41:53,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18 2026-02-10T11:41:53,054 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 2026-02-10T11:41:53,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41 2026-02-10T11:41:53,058 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 2026-02-10T11:41:53,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19 2026-02-10T11:41:53,061 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 2026-02-10T11:41:53,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18 2026-02-10T11:41:53,065 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 2026-02-10T11:41:53,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39 2026-02-10T11:41:53,069 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 2026-02-10T11:41:53,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32 2026-02-10T11:41:53,072 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 2026-02-10T11:41:53,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28 2026-02-10T11:41:53,077 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 2026-02-10T11:41:53,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10 2026-02-10T11:41:53,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo 2026-02-10T11:41:53,084 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 2026-02-10T11:41:53,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef 2026-02-10T11:41:53,088 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 2026-02-10T11:41:53,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:41:53,093 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 2026-02-10T11:41:53,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o 2026-02-10T11:41:53,098 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 2026-02-10T11:41:53,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be 2026-02-10T11:41:53,103 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 2026-02-10T11:41:53,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na 2026-02-10T11:41:53,107 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 2026-02-10T11:41:53,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf 2026-02-10T11:41:53,112 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 2026-02-10T11:41:53,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao 2026-02-10T11:41:53,116 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 2026-02-10T11:41:53,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h 2026-02-10T11:41:53,121 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 2026-02-10T11:41:53,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca 2026-02-10T11:41:53,125 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 2026-02-10T11:41:53,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li 2026-02-10T11:41:53,133 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 2026-02-10T11:41:53,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s 2026-02-10T11:41:53,138 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 2026-02-10T11:41:53,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k 2026-02-10T11:41:53,142 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 2026-02-10T11:41:53,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg 2026-02-10T11:41:53,147 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 2026-02-10T11:41:53,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf 2026-02-10T11:41:53,151 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 2026-02-10T11:41:53,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f 2026-02-10T11:41:53,155 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 2026-02-10T11:41:53,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:41:53,160 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 2026-02-10T11:41:53,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao 2026-02-10T11:41:53,164 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 2026-02-10T11:41:53,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio 2026-02-10T11:41:53,168 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 2026-02-10T11:41:53,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif 2026-02-10T11:41:53,173 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 2026-02-10T11:41:53,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC 2026-02-10T11:41:53,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1 2026-02-10T11:41:53,180 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 2026-02-10T11:41:53,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128 2026-02-10T11:41:53,184 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 2026-02-10T11:41:53,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18 2026-02-10T11:41:53,187 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 2026-02-10T11:41:53,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117 2026-02-10T11:41:53,191 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 2026-02-10T11:41:53,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97 2026-02-10T11:41:53,194 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 2026-02-10T11:41:53,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34 2026-02-10T11:41:53,197 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 2026-02-10T11:41:53,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13 2026-02-10T11:41:53,200 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 2026-02-10T11:41:53,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126 2026-02-10T11:41:53,204 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 2026-02-10T11:41:53,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94 2026-02-10T11:41:53,207 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 2026-02-10T11:41:53,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62 2026-02-10T11:41:53,211 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 2026-02-10T11:41:53,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82 2026-02-10T11:41:53,214 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 2026-02-10T11:41:53,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45 2026-02-10T11:41:53,217 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 2026-02-10T11:41:53,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104 2026-02-10T11:41:53,221 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 2026-02-10T11:41:53,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66 2026-02-10T11:41:53,224 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 2026-02-10T11:41:53,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61 2026-02-10T11:41:53,228 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 2026-02-10T11:41:53,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118 2026-02-10T11:41:53,231 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 2026-02-10T11:41:53,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59 2026-02-10T11:41:53,234 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 2026-02-10T11:41:53,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73 2026-02-10T11:41:53,238 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 2026-02-10T11:41:53,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100 2026-02-10T11:41:53,241 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 2026-02-10T11:41:53,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88 2026-02-10T11:41:53,244 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 2026-02-10T11:41:53,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25 2026-02-10T11:41:53,248 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 2026-02-10T11:41:53,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30 2026-02-10T11:41:53,251 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 2026-02-10T11:41:53,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67 2026-02-10T11:41:53,254 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 2026-02-10T11:41:53,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57 2026-02-10T11:41:53,258 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 2026-02-10T11:41:53,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56 2026-02-10T11:41:53,262 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 2026-02-10T11:41:53,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22 2026-02-10T11:41:53,266 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 2026-02-10T11:41:53,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23 2026-02-10T11:41:53,270 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 2026-02-10T11:41:53,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47 2026-02-10T11:41:53,274 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 2026-02-10T11:41:53,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26 2026-02-10T11:41:53,277 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 2026-02-10T11:41:53,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6 2026-02-10T11:41:53,281 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 2026-02-10T11:41:53,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40 2026-02-10T11:41:53,284 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 2026-02-10T11:41:53,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51 2026-02-10T11:41:53,287 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 2026-02-10T11:41:53,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11 2026-02-10T11:41:53,291 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 2026-02-10T11:41:53,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32 2026-02-10T11:41:53,294 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 2026-02-10T11:41:53,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106 2026-02-10T11:41:53,297 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 2026-02-10T11:41:53,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24 2026-02-10T11:41:53,301 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 2026-02-10T11:41:53,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121 2026-02-10T11:41:53,304 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 2026-02-10T11:41:53,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21 2026-02-10T11:41:53,307 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 2026-02-10T11:41:53,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60 2026-02-10T11:41:53,311 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 2026-02-10T11:41:53,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52 2026-02-10T11:41:53,314 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 2026-02-10T11:41:53,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39 2026-02-10T11:41:53,318 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 2026-02-10T11:41:53,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113 2026-02-10T11:41:53,321 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 2026-02-10T11:41:53,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14 2026-02-10T11:41:53,324 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 2026-02-10T11:41:53,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33 2026-02-10T11:41:53,328 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 2026-02-10T11:41:53,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68 2026-02-10T11:41:53,331 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 2026-02-10T11:41:53,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58 2026-02-10T11:41:53,334 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 2026-02-10T11:41:53,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8 2026-02-10T11:41:53,337 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 2026-02-10T11:41:53,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51 2026-02-10T11:41:53,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane 2026-02-10T11:41:53,344 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 2026-02-10T11:41:53,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:41:53,347 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 2026-02-10T11:41:53,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran 2026-02-10T11:41:53,351 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 2026-02-10T11:41:53,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:41:53,354 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 2026-02-10T11:41:53,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:41:53,357 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 2026-02-10T11:41:53,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran 2026-02-10T11:41:53,361 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 2026-02-10T11:41:53,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:41:53,365 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 2026-02-10T11:41:53,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene 2026-02-10T11:41:53,368 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 2026-02-10T11:41:53,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene 2026-02-10T11:41:53,371 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 2026-02-10T11:41:53,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne 2026-02-10T11:41:53,374 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 2026-02-10T11:41:53,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN 2026-02-10T11:41:53,378 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 2026-02-10T11:41:53,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:41:53,381 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 2026-02-10T11:41:53,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane 2026-02-10T11:41:53,384 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 2026-02-10T11:41:53,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2 2026-02-10T11:41:53,388 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 2026-02-10T11:41:53,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol 2026-02-10T11:41:53,391 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 2026-02-10T11:41:53,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:41:53,395 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 2026-02-10T11:41:53,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O 2026-02-10T11:41:53,398 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 2026-02-10T11:41:53,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:41:53,402 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 2026-02-10T11:41:53,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:41:53,405 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 2026-02-10T11:41:53,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole 2026-02-10T11:41:53,409 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 2026-02-10T11:41:53,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:41:53,412 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 2026-02-10T11:41:53,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:41:53,415 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 2026-02-10T11:41:53,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:41:53,419 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 2026-02-10T11:41:53,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione 2026-02-10T11:41:53,422 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 2026-02-10T11:41:53,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN 2026-02-10T11:41:53,426 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 2026-02-10T11:41:53,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene 2026-02-10T11:41:53,429 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 2026-02-10T11:41:53,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:41:53,432 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 2026-02-10T11:41:53,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol 2026-02-10T11:41:53,436 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 2026-02-10T11:41:53,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S 2026-02-10T11:41:53,439 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 2026-02-10T11:41:53,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:41:53,443 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 2026-02-10T11:41:53,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO 2026-02-10T11:41:53,446 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 2026-02-10T11:41:53,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:41:53,450 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 2026-02-10T11:41:53,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:41:53,453 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 2026-02-10T11:41:53,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:41:53,456 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 2026-02-10T11:41:53,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine 2026-02-10T11:41:53,459 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 2026-02-10T11:41:53,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2 2026-02-10T11:41:53,463 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 2026-02-10T11:41:53,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:41:53,466 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 2026-02-10T11:41:53,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO 2026-02-10T11:41:53,470 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 2026-02-10T11:41:53,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:41:53,473 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 2026-02-10T11:41:53,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:41:53,476 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 2026-02-10T11:41:53,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:41:53,480 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 2026-02-10T11:41:53,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene 2026-02-10T11:41:53,483 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 2026-02-10T11:41:53,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane 2026-02-10T11:41:53,487 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 2026-02-10T11:41:53,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:41:53,490 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 2026-02-10T11:41:53,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:41:53,494 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 2026-02-10T11:41:53,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:41:53,497 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 2026-02-10T11:41:53,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2 2026-02-10T11:41:53,500 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 2026-02-10T11:41:53,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne 2026-02-10T11:41:53,504 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 2026-02-10T11:41:53,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne 2026-02-10T11:41:53,507 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 2026-02-10T11:41:53,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:41:53,511 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 2026-02-10T11:41:53,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene 2026-02-10T11:41:53,514 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 2026-02-10T11:41:53,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:41:53,518 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 2026-02-10T11:41:53,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine 2026-02-10T11:41:53,521 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 2026-02-10T11:41:53,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:41:53,525 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 2026-02-10T11:41:53,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene 2026-02-10T11:41:53,528 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 2026-02-10T11:41:53,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:41:53,532 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 2026-02-10T11:41:53,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:41:53,535 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 2026-02-10T11:41:53,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:41:53,538 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:41:53,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:41:53,543 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 2026-02-10T11:41:53,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl 2026-02-10T11:41:53,547 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 2026-02-10T11:41:53,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:41:53,550 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 2026-02-10T11:41:53,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:41:53,554 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 2026-02-10T11:41:53,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne 2026-02-10T11:41:53,557 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 2026-02-10T11:41:53,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:41:53,561 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 2026-02-10T11:41:53,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol 2026-02-10T11:41:53,564 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 2026-02-10T11:41:53,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2 2026-02-10T11:41:53,568 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 2026-02-10T11:41:53,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene 2026-02-10T11:41:53,572 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 2026-02-10T11:41:53,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:41:53,575 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 2026-02-10T11:41:53,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O 2026-02-10T11:41:53,578 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 2026-02-10T11:41:53,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:41:53,582 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 2026-02-10T11:41:53,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:41:53,585 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 2026-02-10T11:41:53,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene 2026-02-10T11:41:53,589 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 2026-02-10T11:41:53,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane 2026-02-10T11:41:53,592 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 2026-02-10T11:41:53,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:41:53,597 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 2026-02-10T11:41:53,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:41:53,601 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 2026-02-10T11:41:53,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:41:53,605 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 2026-02-10T11:41:53,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH 2026-02-10T11:41:53,610 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 2026-02-10T11:41:53,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol 2026-02-10T11:41:53,614 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 2026-02-10T11:41:53,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2 2026-02-10T11:41:53,618 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 2026-02-10T11:41:53,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:41:53,621 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 2026-02-10T11:41:53,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:41:53,624 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 2026-02-10T11:41:53,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:41:53,628 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 2026-02-10T11:41:53,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:41:53,631 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 2026-02-10T11:41:53,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3 2026-02-10T11:41:53,636 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3 2026-02-10T11:41:53,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:41:53,640 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 2026-02-10T11:41:53,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:41:53,644 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 2026-02-10T11:41:53,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:41:53,648 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 2026-02-10T11:41:53,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11 2026-02-10T11:41:53,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:41:53,653 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 2026-02-10T11:41:53,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:41:53,657 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 2026-02-10T11:41:53,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:41:53,660 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 2026-02-10T11:41:53,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:41:53,663 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 2026-02-10T11:41:53,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br 2026-02-10T11:41:53,667 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 2026-02-10T11:41:53,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:41:53,670 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 2026-02-10T11:41:53,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:41:53,674 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:41:53,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:41:53,677 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 2026-02-10T11:41:53,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:41:53,681 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 2026-02-10T11:41:53,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:41:53,685 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 2026-02-10T11:41:53,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:41:53,689 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 2026-02-10T11:41:53,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:41:53,693 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 2026-02-10T11:41:53,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:41:53,697 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 2026-02-10T11:41:53,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:41:53,700 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 2026-02-10T11:41:53,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:41:53,704 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 2026-02-10T11:41:53,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:41:53,709 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 2026-02-10T11:41:53,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:41:53,712 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 2026-02-10T11:41:53,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:41:53,715 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 2026-02-10T11:41:53,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:41:53,719 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 2026-02-10T11:41:53,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:41:53,722 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 2026-02-10T11:41:53,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:41:53,726 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 2026-02-10T11:41:53,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:41:53,729 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 2026-02-10T11:41:53,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10 2026-02-10T11:41:53,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:41:53,734 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 2026-02-10T11:41:53,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:41:53,738 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+ 2026-02-10T11:41:53,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:41:53,741 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+ 2026-02-10T11:41:53,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s 2026-02-10T11:41:53,745 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 2026-02-10T11:41:53,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3 2026-02-10T11:41:53,748 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 2026-02-10T11:41:53,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:41:53,752 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 2026-02-10T11:41:53,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:41:53,755 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 2026-02-10T11:41:53,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be 2026-02-10T11:41:53,758 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 2026-02-10T11:41:53,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:41:53,762 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+ 2026-02-10T11:41:53,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:41:53,765 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+ 2026-02-10T11:41:53,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:41:53,768 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+ 2026-02-10T11:41:53,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3 2026-02-10T11:41:53,772 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 2026-02-10T11:41:53,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:41:53,775 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+ 2026-02-10T11:41:53,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg 2026-02-10T11:41:53,778 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 2026-02-10T11:41:53,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:41:53,782 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 2026-02-10T11:41:53,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:41:53,785 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+ 2026-02-10T11:41:53,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:41:53,789 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+ 2026-02-10T11:41:53,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:41:53,792 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+ 2026-02-10T11:41:53,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:41:53,796 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 2026-02-10T11:41:53,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:41:53,800 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+ 2026-02-10T11:41:53,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF 2026-02-10T11:41:53,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:41:53,806 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 2026-02-10T11:41:53,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1 2026-02-10T11:41:53,809 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 2026-02-10T11:41:53,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:41:53,812 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 2026-02-10T11:41:53,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:41:53,816 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 2026-02-10T11:41:53,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:41:53,819 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 2026-02-10T11:41:53,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:41:53,823 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 2026-02-10T11:41:53,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:41:53,826 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 2026-02-10T11:41:53,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:41:53,830 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 2026-02-10T11:41:53,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:41:53,833 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 2026-02-10T11:41:53,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:41:53,837 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 2026-02-10T11:41:53,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:41:53,840 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 2026-02-10T11:41:53,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:41:53,843 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 2026-02-10T11:41:53,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:41:53,847 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 2026-02-10T11:41:53,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:41:53,850 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 2026-02-10T11:41:53,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:41:53,853 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 2026-02-10T11:41:53,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:41:53,857 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 2026-02-10T11:41:53,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2 2026-02-10T11:41:53,861 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 2026-02-10T11:41:53,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:41:53,864 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 2026-02-10T11:41:53,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:41:53,867 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 2026-02-10T11:41:53,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:41:53,871 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 2026-02-10T11:41:53,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:41:53,874 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 2026-02-10T11:41:53,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:41:53,878 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 2026-02-10T11:41:53,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:41:53,881 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 2026-02-10T11:41:53,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:41:53,885 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 2026-02-10T11:41:53,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:41:53,889 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 2026-02-10T11:41:53,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:41:53,892 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 2026-02-10T11:41:53,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:41:53,895 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 2026-02-10T11:41:53,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13 2026-02-10T11:41:53,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2 2026-02-10T11:41:53,901 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 2026-02-10T11:41:53,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:41:53,905 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 2026-02-10T11:41:53,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:41:53,908 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 2026-02-10T11:41:53,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2 2026-02-10T11:41:53,912 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 2026-02-10T11:41:53,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4 2026-02-10T11:41:53,915 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 2026-02-10T11:41:53,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3 2026-02-10T11:41:53,919 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 2026-02-10T11:41:53,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4 2026-02-10T11:41:53,922 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 2026-02-10T11:41:53,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:41:53,926 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 2026-02-10T11:41:53,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:41:53,929 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 2026-02-10T11:41:53,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3 2026-02-10T11:41:53,932 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 2026-02-10T11:41:53,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:41:53,936 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 2026-02-10T11:41:53,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5 2026-02-10T11:41:53,939 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 2026-02-10T11:41:53,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:41:53,943 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 2026-02-10T11:41:53,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf 2026-02-10T11:41:53,947 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 2026-02-10T11:41:53,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:41:53,950 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 2026-02-10T11:41:53,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:41:53,953 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 2026-02-10T11:41:53,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:41:53,957 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 2026-02-10T11:41:53,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6 2026-02-10T11:41:53,960 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 2026-02-10T11:41:53,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4 2026-02-10T11:41:53,964 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 2026-02-10T11:41:53,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o 2026-02-10T11:41:53,967 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 2026-02-10T11:41:53,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6 2026-02-10T11:41:53,970 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 2026-02-10T11:41:53,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:41:53,974 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 2026-02-10T11:41:53,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3 2026-02-10T11:41:53,978 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 2026-02-10T11:41:53,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:41:53,982 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 2026-02-10T11:41:53,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:41:53,986 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 2026-02-10T11:41:53,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5 2026-02-10T11:41:53,990 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 2026-02-10T11:41:53,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2 2026-02-10T11:41:53,993 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 2026-02-10T11:41:53,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3 2026-02-10T11:41:53,996 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 2026-02-10T11:41:53,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:41:54,000 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 2026-02-10T11:41:54,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28 2026-02-10T11:41:54,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:41:54,006 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 2026-02-10T11:41:54,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:41:54,010 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 2026-02-10T11:41:54,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:41:54,013 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 2026-02-10T11:41:54,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s 2026-02-10T11:41:54,016 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 2026-02-10T11:41:54,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3 2026-02-10T11:41:54,019 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 2026-02-10T11:41:54,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:41:54,023 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 2026-02-10T11:41:54,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:41:54,026 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 2026-02-10T11:41:54,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:41:54,030 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 2026-02-10T11:41:54,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:41:54,034 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 2026-02-10T11:41:54,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:41:54,037 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 2026-02-10T11:41:54,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:41:54,041 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 2026-02-10T11:41:54,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:41:54,045 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 2026-02-10T11:41:54,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o 2026-02-10T11:41:54,048 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 2026-02-10T11:41:54,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:41:54,051 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 2026-02-10T11:41:54,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi 2026-02-10T11:41:54,055 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 2026-02-10T11:41:54,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:41:54,058 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 2026-02-10T11:41:54,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:41:54,062 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 2026-02-10T11:41:54,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:41:54,065 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 2026-02-10T11:41:54,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:41:54,068 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 2026-02-10T11:41:54,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:41:54,072 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 2026-02-10T11:41:54,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:41:54,076 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 2026-02-10T11:41:54,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:41:54,079 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 2026-02-10T11:41:54,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr 2026-02-10T11:41:54,083 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 2026-02-10T11:41:54,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:41:54,087 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 2026-02-10T11:41:54,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:41:54,091 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 2026-02-10T11:41:54,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3 2026-02-10T11:41:54,094 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 2026-02-10T11:41:54,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:41:54,098 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 2026-02-10T11:41:54,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:41:54,101 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 2026-02-10T11:41:54,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:41:54,105 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 2026-02-10T11:41:54,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:41:54,108 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 2026-02-10T11:41:54,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl 2026-02-10T11:41:54,111 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 2026-02-10T11:41:54,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:41:54,115 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 2026-02-10T11:41:54,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:41:54,119 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 2026-02-10T11:41:54,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:41:54,122 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 2026-02-10T11:41:54,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:41:54,126 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 2026-02-10T11:41:54,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:41:54,130 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 2026-02-10T11:41:54,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:41:54,133 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 2026-02-10T11:41:54,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2 2026-02-10T11:41:54,137 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 2026-02-10T11:41:54,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP 2026-02-10T11:41:54,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2 2026-02-10T11:41:54,142 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 2026-02-10T11:41:54,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l 2026-02-10T11:41:54,145 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 2026-02-10T11:41:54,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f 2026-02-10T11:41:54,149 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 2026-02-10T11:41:54,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1 2026-02-10T11:41:54,153 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 2026-02-10T11:41:54,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant 2026-02-10T11:41:54,156 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 2026-02-10T11:41:54,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2 2026-02-10T11:41:54,160 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 2026-02-10T11:41:54,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l 2026-02-10T11:41:54,163 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 2026-02-10T11:41:54,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene 2026-02-10T11:41:54,167 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 2026-02-10T11:41:54,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22 2026-02-10T11:41:54,171 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 2026-02-10T11:41:54,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1 2026-02-10T11:41:54,175 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 2026-02-10T11:41:54,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f 2026-02-10T11:41:54,178 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 2026-02-10T11:41:54,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer 2026-02-10T11:41:54,181 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 2026-02-10T11:41:54,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2 2026-02-10T11:41:54,185 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 2026-02-10T11:41:54,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24 2026-02-10T11:41:54,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:41:54,191 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 2026-02-10T11:41:54,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:41:54,194 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 2026-02-10T11:41:54,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:41:54,198 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 2026-02-10T11:41:54,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:41:54,201 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 2026-02-10T11:41:54,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:41:54,205 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 2026-02-10T11:41:54,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:41:54,208 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 2026-02-10T11:41:54,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3 2026-02-10T11:41:54,213 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 2026-02-10T11:41:54,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2 2026-02-10T11:41:54,217 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 2026-02-10T11:41:54,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:41:54,220 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 2026-02-10T11:41:54,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:41:54,224 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 2026-02-10T11:41:54,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3 2026-02-10T11:41:54,227 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 2026-02-10T11:41:54,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS 2026-02-10T11:41:54,231 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 2026-02-10T11:41:54,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:41:54,234 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 2026-02-10T11:41:54,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:41:54,238 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 2026-02-10T11:41:54,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O 2026-02-10T11:41:54,241 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 2026-02-10T11:41:54,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3 2026-02-10T11:41:54,245 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 2026-02-10T11:41:54,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3 2026-02-10T11:41:54,249 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 2026-02-10T11:41:54,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:41:54,252 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 2026-02-10T11:41:54,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether 2026-02-10T11:41:54,256 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 2026-02-10T11:41:54,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph 2026-02-10T11:41:54,259 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 2026-02-10T11:41:54,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S 2026-02-10T11:41:54,263 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 2026-02-10T11:41:54,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:41:54,267 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 2026-02-10T11:41:54,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:41:54,270 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 2026-02-10T11:41:54,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:41:54,274 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 2026-02-10T11:41:54,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:41:54,278 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 2026-02-10T11:41:54,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:41:54,281 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 2026-02-10T11:41:54,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:41:54,285 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 2026-02-10T11:41:54,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:41:54,288 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 2026-02-10T11:41:54,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:41:54,292 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 2026-02-10T11:41:54,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS 2026-02-10T11:41:54,296 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 2026-02-10T11:41:54,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether 2026-02-10T11:41:54,299 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 2026-02-10T11:41:54,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:41:54,303 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 2026-02-10T11:41:54,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:41:54,306 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 2026-02-10T11:41:54,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:41:54,309 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 2026-02-10T11:41:54,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:41:54,313 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 2026-02-10T11:41:54,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:41:54,316 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 2026-02-10T11:41:54,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3 2026-02-10T11:41:54,320 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 2026-02-10T11:41:54,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:41:54,323 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 2026-02-10T11:41:54,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene 2026-02-10T11:41:54,327 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 2026-02-10T11:41:54,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:41:54,331 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 2026-02-10T11:41:54,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene 2026-02-10T11:41:54,334 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 2026-02-10T11:41:54,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:41:54,338 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 2026-02-10T11:41:54,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS 2026-02-10T11:41:54,341 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 2026-02-10T11:41:54,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:41:54,345 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 2026-02-10T11:41:54,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:41:54,348 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 2026-02-10T11:41:54,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:41:54,352 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 2026-02-10T11:41:54,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:41:54,355 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 2026-02-10T11:41:54,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS 2026-02-10T11:41:54,359 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 2026-02-10T11:41:54,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23 2026-02-10T11:41:54,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b 2026-02-10T11:41:54,365 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 2026-02-10T11:41:54,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1 2026-02-10T11:41:54,369 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 2026-02-10T11:41:54,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b 2026-02-10T11:41:54,372 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 2026-02-10T11:41:54,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a 2026-02-10T11:41:54,376 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 2026-02-10T11:41:54,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b 2026-02-10T11:41:54,379 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 2026-02-10T11:41:54,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b 2026-02-10T11:41:54,383 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 2026-02-10T11:41:54,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4 2026-02-10T11:41:54,386 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 2026-02-10T11:41:54,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b 2026-02-10T11:41:54,390 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 2026-02-10T11:41:54,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b 2026-02-10T11:41:54,394 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 2026-02-10T11:41:54,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12 2026-02-10T11:41:54,398 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 2026-02-10T11:41:54,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a 2026-02-10T11:41:54,402 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 2026-02-10T11:41:54,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a 2026-02-10T11:41:54,405 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 2026-02-10T11:41:54,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a 2026-02-10T11:41:54,408 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 2026-02-10T11:41:54,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b 2026-02-10T11:41:54,412 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 2026-02-10T11:41:54,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18 2026-02-10T11:41:54,416 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 2026-02-10T11:41:54,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13 2026-02-10T11:41:54,419 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 2026-02-10T11:41:54,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b 2026-02-10T11:41:54,423 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 2026-02-10T11:41:54,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b 2026-02-10T11:41:54,427 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 2026-02-10T11:41:54,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a 2026-02-10T11:41:54,431 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 2026-02-10T11:41:54,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b 2026-02-10T11:41:54,435 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 2026-02-10T11:41:54,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b 2026-02-10T11:41:54,439 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 2026-02-10T11:41:54,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20 2026-02-10T11:41:54,442 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 2026-02-10T11:41:54,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a 2026-02-10T11:41:54,446 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 2026-02-10T11:41:54,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b 2026-02-10T11:41:54,449 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 2026-02-10T11:41:54,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a 2026-02-10T11:41:54,452 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 2026-02-10T11:41:54,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3 2026-02-10T11:41:54,455 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 2026-02-10T11:41:54,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b 2026-02-10T11:41:54,459 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 2026-02-10T11:41:54,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a 2026-02-10T11:41:54,462 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 2026-02-10T11:41:54,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16 2026-02-10T11:41:54,466 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 2026-02-10T11:41:54,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a 2026-02-10T11:41:54,469 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 2026-02-10T11:41:54,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b 2026-02-10T11:41:54,472 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 2026-02-10T11:41:54,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9 2026-02-10T11:41:54,476 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 2026-02-10T11:41:54,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22 2026-02-10T11:41:54,479 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 2026-02-10T11:41:54,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7 2026-02-10T11:41:54,482 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 2026-02-10T11:41:54,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23 2026-02-10T11:41:54,486 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 2026-02-10T11:41:54,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a 2026-02-10T11:41:54,489 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 2026-02-10T11:41:54,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b 2026-02-10T11:41:54,492 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 2026-02-10T11:41:54,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10 2026-02-10T11:41:54,496 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 2026-02-10T11:41:54,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b 2026-02-10T11:41:54,499 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 2026-02-10T11:41:54,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a 2026-02-10T11:41:54,503 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 2026-02-10T11:41:54,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a 2026-02-10T11:41:54,506 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 2026-02-10T11:41:54,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a 2026-02-10T11:41:54,509 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 2026-02-10T11:41:54,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a 2026-02-10T11:41:54,513 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 2026-02-10T11:41:54,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a 2026-02-10T11:41:54,517 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 2026-02-10T11:41:54,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6 2026-02-10T11:41:54,520 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 2026-02-10T11:41:54,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b 2026-02-10T11:41:54,524 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 2026-02-10T11:41:54,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b 2026-02-10T11:41:54,527 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 2026-02-10T11:41:54,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b 2026-02-10T11:41:54,530 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 2026-02-10T11:41:54,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a 2026-02-10T11:41:54,534 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 2026-02-10T11:41:54,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a 2026-02-10T11:41:54,537 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 2026-02-10T11:41:54,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11 2026-02-10T11:41:54,541 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 2026-02-10T11:41:54,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5 2026-02-10T11:41:54,544 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 2026-02-10T11:41:54,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b 2026-02-10T11:41:54,548 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 2026-02-10T11:41:54,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15 2026-02-10T11:41:54,552 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 2026-02-10T11:41:54,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a 2026-02-10T11:41:54,556 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 2026-02-10T11:41:54,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17 2026-02-10T11:41:54,559 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 2026-02-10T11:41:54,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a 2026-02-10T11:41:54,563 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 2026-02-10T11:41:54,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21 2026-02-10T11:41:54,567 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 2026-02-10T11:41:54,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a 2026-02-10T11:41:54,570 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 2026-02-10T11:41:54,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a 2026-02-10T11:41:54,574 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 2026-02-10T11:41:54,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b 2026-02-10T11:41:54,577 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 2026-02-10T11:41:54,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b 2026-02-10T11:41:54,580 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 2026-02-10T11:41:54,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2 2026-02-10T11:41:54,584 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 2026-02-10T11:41:54,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14 2026-02-10T11:41:54,587 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 2026-02-10T11:41:54,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b 2026-02-10T11:41:54,590 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 2026-02-10T11:41:54,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19 2026-02-10T11:41:54,594 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 2026-02-10T11:41:54,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a 2026-02-10T11:41:54,597 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 2026-02-10T11:41:54,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a 2026-02-10T11:41:54,601 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 2026-02-10T11:41:54,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8 2026-02-10T11:41:54,605 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 2026-02-10T11:41:54,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11 2026-02-10T11:41:54,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic 2026-02-10T11:41:54,611 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 2026-02-10T11:41:54,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of 2026-02-10T11:41:54,615 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 2026-02-10T11:41:54,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo 2026-02-10T11:41:54,618 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 2026-02-10T11:41:54,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4 2026-02-10T11:41:54,622 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 2026-02-10T11:41:54,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh 2026-02-10T11:41:54,625 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 2026-02-10T11:41:54,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc 2026-02-10T11:41:54,628 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 2026-02-10T11:41:54,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh 2026-02-10T11:41:54,632 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 2026-02-10T11:41:54,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic 2026-02-10T11:41:54,635 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 2026-02-10T11:41:54,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal 2026-02-10T11:41:54,639 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 2026-02-10T11:41:54,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof 2026-02-10T11:41:54,642 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 2026-02-10T11:41:54,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono 2026-02-10T11:41:54,646 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 2026-02-10T11:41:54,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene 2026-02-10T11:41:54,650 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 2026-02-10T11:41:54,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:41:54,653 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 2026-02-10T11:41:54,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:41:54,657 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 2026-02-10T11:41:54,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2 2026-02-10T11:41:54,664 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 2026-02-10T11:41:54,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh 2026-02-10T11:41:54,667 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 2026-02-10T11:41:54,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf 2026-02-10T11:41:54,671 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 2026-02-10T11:41:54,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2 2026-02-10T11:41:54,674 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 2026-02-10T11:41:54,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2 2026-02-10T11:41:54,678 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 2026-02-10T11:41:54,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof 2026-02-10T11:41:54,681 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 2026-02-10T11:41:54,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf 2026-02-10T11:41:54,685 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 2026-02-10T11:41:54,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s 2026-02-10T11:41:54,688 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 2026-02-10T11:41:54,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf 2026-02-10T11:41:54,692 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 2026-02-10T11:41:54,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co 2026-02-10T11:41:54,695 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 2026-02-10T11:41:54,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3 2026-02-10T11:41:54,699 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 2026-02-10T11:41:54,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3 2026-02-10T11:41:54,702 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 2026-02-10T11:41:54,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn 2026-02-10T11:41:54,706 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 2026-02-10T11:41:54,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol 2026-02-10T11:41:54,709 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 2026-02-10T11:41:54,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh 2026-02-10T11:41:54,712 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 2026-02-10T11:41:54,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2 2026-02-10T11:41:54,716 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 2026-02-10T11:41:54,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol 2026-02-10T11:41:54,719 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 2026-02-10T11:41:54,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2 2026-02-10T11:41:54,722 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 2026-02-10T11:41:54,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f 2026-02-10T11:41:54,726 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 2026-02-10T11:41:54,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6 2026-02-10T11:41:54,730 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 2026-02-10T11:41:54,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4 2026-02-10T11:41:54,734 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 2026-02-10T11:41:54,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs 2026-02-10T11:41:54,738 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 2026-02-10T11:41:54,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn 2026-02-10T11:41:54,741 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 2026-02-10T11:41:54,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3 2026-02-10T11:41:54,745 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 2026-02-10T11:41:54,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b 2026-02-10T11:41:54,749 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 2026-02-10T11:41:54,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2 2026-02-10T11:41:54,752 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 2026-02-10T11:41:54,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2 2026-02-10T11:41:54,756 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 2026-02-10T11:41:54,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl 2026-02-10T11:41:54,760 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 2026-02-10T11:41:54,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh 2026-02-10T11:41:54,763 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 2026-02-10T11:41:54,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:41:54,766 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 2026-02-10T11:41:54,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o 2026-02-10T11:41:54,770 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 2026-02-10T11:41:54,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4 2026-02-10T11:41:54,773 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 2026-02-10T11:41:54,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:41:54,777 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 2026-02-10T11:41:54,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6 2026-02-10T11:41:54,781 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 2026-02-10T11:41:54,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno 2026-02-10T11:41:54,784 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 2026-02-10T11:41:54,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2 2026-02-10T11:41:54,788 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 2026-02-10T11:41:54,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo 2026-02-10T11:41:54,791 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 2026-02-10T11:41:54,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn 2026-02-10T11:41:54,795 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 2026-02-10T11:41:54,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne 2026-02-10T11:41:54,798 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 2026-02-10T11:41:54,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2 2026-02-10T11:41:54,802 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 2026-02-10T11:41:54,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o 2026-02-10T11:41:54,805 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 2026-02-10T11:41:54,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:41:54,808 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 2026-02-10T11:41:54,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf 2026-02-10T11:41:54,812 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 2026-02-10T11:41:54,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4 2026-02-10T11:41:54,816 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 2026-02-10T11:41:54,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be 2026-02-10T11:41:54,819 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 2026-02-10T11:41:54,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf 2026-02-10T11:41:54,822 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 2026-02-10T11:41:54,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o 2026-02-10T11:41:54,826 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 2026-02-10T11:41:54,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4 2026-02-10T11:41:54,830 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 2026-02-10T11:41:54,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf 2026-02-10T11:41:54,833 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 2026-02-10T11:41:54,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3 2026-02-10T11:41:54,837 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 2026-02-10T11:41:54,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h 2026-02-10T11:41:54,840 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 2026-02-10T11:41:54,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo 2026-02-10T11:41:54,843 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 2026-02-10T11:41:54,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl 2026-02-10T11:41:54,847 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 2026-02-10T11:41:54,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6 2026-02-10T11:41:54,850 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 2026-02-10T11:41:54,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2 2026-02-10T11:41:54,854 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 2026-02-10T11:41:54,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo 2026-02-10T11:41:54,858 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 2026-02-10T11:41:54,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane 2026-02-10T11:41:54,861 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 2026-02-10T11:41:54,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco 2026-02-10T11:41:54,865 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 2026-02-10T11:41:54,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si 2026-02-10T11:41:54,869 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 2026-02-10T11:41:54,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n 2026-02-10T11:41:54,873 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 2026-02-10T11:41:54,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h 2026-02-10T11:41:54,877 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 2026-02-10T11:41:54,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane 2026-02-10T11:41:54,881 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 2026-02-10T11:41:54,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2 2026-02-10T11:41:54,885 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 2026-02-10T11:41:54,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene 2026-02-10T11:41:54,889 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 2026-02-10T11:41:54,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl 2026-02-10T11:41:54,893 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 2026-02-10T11:41:54,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2 2026-02-10T11:41:54,898 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 2026-02-10T11:41:54,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f 2026-02-10T11:41:54,902 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 2026-02-10T11:41:54,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3 2026-02-10T11:41:54,906 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 2026-02-10T11:41:54,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2 2026-02-10T11:41:54,910 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 2026-02-10T11:41:54,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o 2026-02-10T11:41:54,914 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 2026-02-10T11:41:54,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3 2026-02-10T11:41:54,918 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 2026-02-10T11:41:54,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s 2026-02-10T11:41:54,922 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 2026-02-10T11:41:54,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o 2026-02-10T11:41:54,927 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 2026-02-10T11:41:54,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3 2026-02-10T11:41:54,931 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 2026-02-10T11:41:54,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4 2026-02-10T11:41:54,935 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 2026-02-10T11:41:54,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3 2026-02-10T11:41:54,939 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 2026-02-10T11:41:54,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih 2026-02-10T11:41:54,943 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 2026-02-10T11:41:54,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof 2026-02-10T11:41:54,947 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 2026-02-10T11:41:54,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f 2026-02-10T11:41:54,951 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 2026-02-10T11:41:54,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno 2026-02-10T11:41:54,955 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 2026-02-10T11:41:54,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no 2026-02-10T11:41:54,959 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 2026-02-10T11:41:54,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c 2026-02-10T11:41:54,964 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 2026-02-10T11:41:54,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh 2026-02-10T11:41:54,968 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 2026-02-10T11:41:54,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co 2026-02-10T11:41:54,972 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 2026-02-10T11:41:54,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene 2026-02-10T11:41:54,976 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 2026-02-10T11:41:54,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn 2026-02-10T11:41:54,980 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 2026-02-10T11:41:54,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs 2026-02-10T11:41:54,984 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 2026-02-10T11:41:54,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p 2026-02-10T11:41:54,988 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 2026-02-10T11:41:54,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:41:54,992 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 2026-02-10T11:41:54,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch 2026-02-10T11:41:54,996 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 2026-02-10T11:41:54,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3 2026-02-10T11:41:55,000 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 2026-02-10T11:41:55,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh 2026-02-10T11:41:55,004 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 2026-02-10T11:41:55,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2 2026-02-10T11:41:55,008 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 2026-02-10T11:41:55,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2 2026-02-10T11:41:55,013 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 2026-02-10T11:41:55,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f 2026-02-10T11:41:55,017 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 2026-02-10T11:41:55,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2 2026-02-10T11:41:55,021 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 2026-02-10T11:41:55,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs 2026-02-10T11:41:55,025 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 2026-02-10T11:41:55,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi 2026-02-10T11:41:55,030 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 2026-02-10T11:41:55,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl 2026-02-10T11:41:55,033 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 2026-02-10T11:41:55,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2 2026-02-10T11:41:55,038 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 2026-02-10T11:41:55,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene 2026-02-10T11:41:55,042 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 2026-02-10T11:41:55,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo 2026-02-10T11:41:55,046 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 2026-02-10T11:41:55,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2 2026-02-10T11:41:55,050 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 2026-02-10T11:41:55,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf 2026-02-10T11:41:55,054 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 2026-02-10T11:41:55,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so 2026-02-10T11:41:55,058 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 2026-02-10T11:41:55,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch 2026-02-10T11:41:55,063 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 2026-02-10T11:41:55,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2 2026-02-10T11:41:55,067 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 2026-02-10T11:41:55,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane 2026-02-10T11:41:55,072 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 2026-02-10T11:41:55,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o 2026-02-10T11:41:55,076 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 2026-02-10T11:41:55,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc 2026-02-10T11:41:55,080 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 2026-02-10T11:41:55,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:41:55,084 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 2026-02-10T11:41:55,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3 2026-02-10T11:41:55,088 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 2026-02-10T11:41:55,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c 2026-02-10T11:41:55,093 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 2026-02-10T11:41:55,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2 2026-02-10T11:41:55,097 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 2026-02-10T11:41:55,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco 2026-02-10T11:41:55,101 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 2026-02-10T11:41:55,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2 2026-02-10T11:41:55,105 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 2026-02-10T11:41:55,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn 2026-02-10T11:41:55,109 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 2026-02-10T11:41:55,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:41:55,113 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 2026-02-10T11:41:55,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f 2026-02-10T11:41:55,118 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 2026-02-10T11:41:55,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn 2026-02-10T11:41:55,122 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 2026-02-10T11:41:55,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co 2026-02-10T11:41:55,126 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 2026-02-10T11:41:55,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:41:55,130 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 2026-02-10T11:41:55,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif 2026-02-10T11:41:55,135 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 2026-02-10T11:41:55,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4 2026-02-10T11:41:55,139 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 2026-02-10T11:41:55,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3 2026-02-10T11:41:55,143 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 2026-02-10T11:41:55,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2 2026-02-10T11:41:55,147 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 2026-02-10T11:41:55,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al 2026-02-10T11:41:55,151 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 2026-02-10T11:41:55,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh 2026-02-10T11:41:55,157 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 2026-02-10T11:41:55,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono 2026-02-10T11:41:55,164 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 2026-02-10T11:41:55,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn 2026-02-10T11:41:55,168 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 2026-02-10T11:41:55,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo 2026-02-10T11:41:55,172 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 2026-02-10T11:41:55,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio 2026-02-10T11:41:55,176 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 2026-02-10T11:41:55,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh 2026-02-10T11:41:55,179 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 2026-02-10T11:41:55,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:41:55,183 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 2026-02-10T11:41:55,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch 2026-02-10T11:41:55,187 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 2026-02-10T11:41:55,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl 2026-02-10T11:41:55,190 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 2026-02-10T11:41:55,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn 2026-02-10T11:41:55,194 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 2026-02-10T11:41:55,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2 2026-02-10T11:41:55,198 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 2026-02-10T11:41:55,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43 2026-02-10T11:41:55,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07 2026-02-10T11:41:55,203 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 2026-02-10T11:41:55,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36 2026-02-10T11:41:55,207 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 2026-02-10T11:41:55,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02 2026-02-10T11:41:55,210 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 2026-02-10T11:41:55,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12 2026-02-10T11:41:55,215 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 2026-02-10T11:41:55,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27 2026-02-10T11:41:55,218 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 2026-02-10T11:41:55,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18 2026-02-10T11:41:55,221 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 2026-02-10T11:41:55,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34 2026-02-10T11:41:55,225 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 2026-02-10T11:41:55,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13 2026-02-10T11:41:55,229 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 2026-02-10T11:41:55,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38 2026-02-10T11:41:55,233 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 2026-02-10T11:41:55,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2 2026-02-10T11:41:55,237 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 2026-02-10T11:41:55,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH 2026-02-10T11:41:55,240 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 2026-02-10T11:41:55,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2 2026-02-10T11:41:55,244 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 2026-02-10T11:41:55,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05 2026-02-10T11:41:55,247 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 2026-02-10T11:41:55,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20 2026-02-10T11:41:55,252 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 2026-02-10T11:41:55,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01 2026-02-10T11:41:55,256 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 2026-02-10T11:41:55,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08 2026-02-10T11:41:55,260 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 2026-02-10T11:41:55,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41 2026-02-10T11:41:55,264 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 2026-02-10T11:41:55,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4 2026-02-10T11:41:55,269 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 2026-02-10T11:41:55,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2 2026-02-10T11:41:55,274 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 2026-02-10T11:41:55,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04 2026-02-10T11:41:55,279 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 2026-02-10T11:41:55,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16 2026-02-10T11:41:55,286 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 2026-02-10T11:41:55,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4 2026-02-10T11:41:55,506 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 2026-02-10T11:41:55,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2 2026-02-10T11:41:55,510 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 2026-02-10T11:41:55,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25 2026-02-10T11:41:55,513 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 2026-02-10T11:41:55,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30 2026-02-10T11:41:55,516 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 2026-02-10T11:41:55,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH 2026-02-10T11:41:55,520 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 2026-02-10T11:41:55,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43 2026-02-10T11:41:55,523 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 2026-02-10T11:41:55,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2 2026-02-10T11:41:55,527 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 2026-02-10T11:41:55,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09 2026-02-10T11:41:55,531 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 2026-02-10T11:41:55,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37 2026-02-10T11:41:55,534 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 2026-02-10T11:41:55,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3 2026-02-10T11:41:55,538 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 2026-02-10T11:41:55,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22 2026-02-10T11:41:55,542 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 2026-02-10T11:41:55,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23 2026-02-10T11:41:55,546 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 2026-02-10T11:41:55,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2 2026-02-10T11:41:55,550 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 2026-02-10T11:41:55,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10 2026-02-10T11:41:55,553 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 2026-02-10T11:41:55,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06 2026-02-10T11:41:55,557 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 2026-02-10T11:41:55,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2 2026-02-10T11:41:55,560 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 2026-02-10T11:41:55,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28 2026-02-10T11:41:55,563 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 2026-02-10T11:41:55,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26 2026-02-10T11:41:55,567 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 2026-02-10T11:41:55,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40 2026-02-10T11:41:55,570 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 2026-02-10T11:41:55,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11 2026-02-10T11:41:55,574 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 2026-02-10T11:41:55,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32 2026-02-10T11:41:55,579 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 2026-02-10T11:41:55,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2 2026-02-10T11:41:55,583 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 2026-02-10T11:41:55,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24 2026-02-10T11:41:55,587 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 2026-02-10T11:41:55,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15 2026-02-10T11:41:55,592 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 2026-02-10T11:41:55,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03 2026-02-10T11:41:55,596 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 2026-02-10T11:41:55,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17 2026-02-10T11:41:55,599 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 2026-02-10T11:41:55,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21 2026-02-10T11:41:55,602 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 2026-02-10T11:41:55,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3 2026-02-10T11:41:55,606 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 2026-02-10T11:41:55,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42 2026-02-10T11:41:55,610 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 2026-02-10T11:41:55,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39 2026-02-10T11:41:55,613 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 2026-02-10T11:41:55,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35 2026-02-10T11:41:55,617 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 2026-02-10T11:41:55,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14 2026-02-10T11:41:55,620 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 2026-02-10T11:41:55,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19 2026-02-10T11:41:55,624 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 2026-02-10T11:41:55,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33 2026-02-10T11:41:55,628 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 2026-02-10T11:41:55,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2 2026-02-10T11:41:55,631 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 2026-02-10T11:41:55,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29 2026-02-10T11:41:55,634 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 2026-02-10T11:41:55,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31 2026-02-10T11:41:55,638 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 2026-02-10T11:41:55,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23 2026-02-10T11:41:55,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z 2026-02-10T11:41:55,643 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 2026-02-10T11:41:55,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b 2026-02-10T11:41:55,647 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 2026-02-10T11:41:55,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e 2026-02-10T11:41:55,650 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 2026-02-10T11:41:55,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d 2026-02-10T11:41:55,654 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 2026-02-10T11:41:55,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m 2026-02-10T11:41:55,657 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 2026-02-10T11:41:55,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b 2026-02-10T11:41:55,660 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 2026-02-10T11:41:55,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f 2026-02-10T11:41:55,664 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 2026-02-10T11:41:55,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a 2026-02-10T11:41:55,668 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 2026-02-10T11:41:55,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b 2026-02-10T11:41:55,671 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 2026-02-10T11:41:55,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b 2026-02-10T11:41:55,675 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 2026-02-10T11:41:55,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h 2026-02-10T11:41:55,678 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 2026-02-10T11:41:55,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g 2026-02-10T11:41:55,682 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 2026-02-10T11:41:55,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p 2026-02-10T11:41:55,685 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 2026-02-10T11:41:55,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p 2026-02-10T11:41:55,689 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 2026-02-10T11:41:55,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a 2026-02-10T11:41:55,692 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 2026-02-10T11:41:55,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p 2026-02-10T11:41:55,696 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 2026-02-10T11:41:55,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d 2026-02-10T11:41:55,699 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 2026-02-10T11:41:55,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a 2026-02-10T11:41:55,703 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 2026-02-10T11:41:55,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a 2026-02-10T11:41:55,706 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 2026-02-10T11:41:55,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c 2026-02-10T11:41:55,709 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 2026-02-10T11:41:55,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p 2026-02-10T11:41:55,713 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 2026-02-10T11:41:55,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa 2026-02-10T11:41:55,716 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 2026-02-10T11:41:55,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a 2026-02-10T11:41:55,720 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 2026-02-10T11:41:55,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a 2026-02-10T11:41:55,723 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 2026-02-10T11:41:55,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27 2026-02-10T11:41:55,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:41:55,730 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 2026-02-10T11:41:55,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:41:55,733 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 2026-02-10T11:41:55,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:41:55,736 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 2026-02-10T11:41:55,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:41:55,740 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 2026-02-10T11:41:55,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:41:55,743 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 2026-02-10T11:41:55,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:41:55,746 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 2026-02-10T11:41:55,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:41:55,750 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 2026-02-10T11:41:55,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:41:55,753 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 2026-02-10T11:41:55,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:41:55,757 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 2026-02-10T11:41:55,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:41:55,760 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 2026-02-10T11:41:55,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:41:55,764 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 2026-02-10T11:41:55,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2 2026-02-10T11:41:55,767 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 2026-02-10T11:41:55,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:41:55,771 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 2026-02-10T11:41:55,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:41:55,775 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 2026-02-10T11:41:55,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:41:55,778 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 2026-02-10T11:41:55,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:41:55,781 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 2026-02-10T11:41:55,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:41:55,785 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 2026-02-10T11:41:55,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:41:55,788 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 2026-02-10T11:41:55,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:41:55,792 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 2026-02-10T11:41:55,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:41:55,795 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 2026-02-10T11:41:55,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:41:55,799 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 2026-02-10T11:41:55,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:41:55,802 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 2026-02-10T11:41:55,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:41:55,806 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 2026-02-10T11:41:55,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:41:55,810 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 2026-02-10T11:41:55,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2 2026-02-10T11:41:55,813 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 2026-02-10T11:41:55,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:41:55,817 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 2026-02-10T11:41:55,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:41:55,820 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 2026-02-10T11:41:55,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:41:55,824 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 2026-02-10T11:41:55,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:41:55,827 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 2026-02-10T11:41:55,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:41:55,830 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 2026-02-10T11:41:55,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:41:55,834 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 2026-02-10T11:41:55,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:41:55,837 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 2026-02-10T11:41:55,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:41:55,841 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 2026-02-10T11:41:55,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:41:55,846 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 2026-02-10T11:41:55,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:41:55,852 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 2026-02-10T11:41:55,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:41:55,855 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 2026-02-10T11:41:55,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:41:55,858 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 2026-02-10T11:41:55,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:41:55,861 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 2026-02-10T11:41:55,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:41:55,865 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 2026-02-10T11:41:55,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:41:55,868 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 2026-02-10T11:41:55,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15 2026-02-10T11:41:55,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b 2026-02-10T11:41:55,874 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 2026-02-10T11:41:55,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b 2026-02-10T11:41:55,877 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 2026-02-10T11:41:55,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c 2026-02-10T11:41:55,881 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 2026-02-10T11:41:55,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a 2026-02-10T11:41:55,884 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 2026-02-10T11:41:55,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b 2026-02-10T11:41:55,888 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 2026-02-10T11:41:56,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c 2026-02-10T11:41:56,102 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 2026-02-10T11:41:56,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b 2026-02-10T11:41:56,108 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 2026-02-10T11:41:56,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c 2026-02-10T11:41:56,115 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 2026-02-10T11:41:56,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a 2026-02-10T11:41:56,121 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 2026-02-10T11:41:56,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d 2026-02-10T11:41:56,127 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 2026-02-10T11:41:56,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a 2026-02-10T11:41:56,133 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 2026-02-10T11:41:56,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b 2026-02-10T11:41:56,139 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 2026-02-10T11:41:56,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b 2026-02-10T11:41:56,146 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 2026-02-10T11:41:56,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d 2026-02-10T11:41:56,152 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 2026-02-10T11:41:56,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a 2026-02-10T11:41:56,159 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 2026-02-10T11:41:56,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a 2026-02-10T11:41:56,167 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 2026-02-10T11:41:56,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b 2026-02-10T11:41:56,176 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 2026-02-10T11:41:56,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a 2026-02-10T11:41:56,187 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 2026-02-10T11:41:56,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b 2026-02-10T11:41:56,199 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 2026-02-10T11:41:56,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a 2026-02-10T11:41:56,210 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 2026-02-10T11:41:56,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a 2026-02-10T11:41:56,216 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 2026-02-10T11:41:56,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b 2026-02-10T11:41:56,220 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 2026-02-10T11:41:56,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b 2026-02-10T11:41:56,223 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 2026-02-10T11:41:56,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a 2026-02-10T11:41:56,228 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 2026-02-10T11:41:56,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a 2026-02-10T11:41:56,232 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 2026-02-10T11:41:56,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL 2026-02-10T11:41:56,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:41:56,242 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 2026-02-10T11:41:56,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:41:56,249 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 2026-02-10T11:41:56,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:41:56,258 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 2026-02-10T11:41:56,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:41:56,267 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 2026-02-10T11:41:56,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:41:56,277 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 2026-02-10T11:41:56,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:41:56,497 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 2026-02-10T11:41:56,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:41:56,500 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 2026-02-10T11:41:56,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:41:56,504 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 2026-02-10T11:41:56,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:41:56,508 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 2026-02-10T11:41:56,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:41:56,511 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 2026-02-10T11:41:56,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:41:56,515 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 2026-02-10T11:41:56,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:41:56,518 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 2026-02-10T11:41:56,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:41:56,522 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 2026-02-10T11:41:56,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:41:56,526 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 2026-02-10T11:41:56,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:41:56,529 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 2026-02-10T11:41:56,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:41:56,533 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 2026-02-10T11:41:56,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:41:56,536 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 2026-02-10T11:41:56,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:41:56,540 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 2026-02-10T11:41:56,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:41:56,543 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 2026-02-10T11:41:56,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:41:56,547 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 2026-02-10T11:41:56,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:41:56,550 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 2026-02-10T11:41:56,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:41:56,553 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 2026-02-10T11:41:56,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:41:56,557 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 2026-02-10T11:41:56,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:41:56,560 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 2026-02-10T11:41:56,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:41:56,564 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 2026-02-10T11:41:56,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:41:56,567 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 2026-02-10T11:41:56,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:41:56,570 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 2026-02-10T11:41:56,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:41:56,574 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 2026-02-10T11:41:56,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:41:56,577 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 2026-02-10T11:41:56,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:41:56,581 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 2026-02-10T11:41:56,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:41:56,585 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 2026-02-10T11:41:56,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:41:56,588 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 2026-02-10T11:41:56,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:41:56,591 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 2026-02-10T11:41:56,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:41:56,595 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 2026-02-10T11:41:56,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:41:56,598 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 2026-02-10T11:41:56,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:41:56,601 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 2026-02-10T11:41:56,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:41:56,605 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 2026-02-10T11:41:56,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:41:56,608 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 2026-02-10T11:41:56,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:41:56,611 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 2026-02-10T11:41:56,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:41:56,615 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 2026-02-10T11:41:56,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:41:56,618 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 2026-02-10T11:41:56,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:41:56,622 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 2026-02-10T11:41:56,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:41:56,625 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 2026-02-10T11:41:56,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:41:56,629 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 2026-02-10T11:41:56,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:41:56,632 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 2026-02-10T11:41:56,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:41:56,636 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 2026-02-10T11:41:56,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:41:56,639 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 2026-02-10T11:41:56,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:41:56,643 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 2026-02-10T11:41:56,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:41:56,646 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 2026-02-10T11:41:56,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:41:56,650 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 2026-02-10T11:41:56,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:41:56,654 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 2026-02-10T11:41:56,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:41:56,657 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 2026-02-10T11:41:56,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:41:56,660 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 2026-02-10T11:41:56,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:41:56,664 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 2026-02-10T11:41:56,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:41:56,667 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 2026-02-10T11:41:56,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:41:56,671 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 2026-02-10T11:41:56,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:41:56,674 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 2026-02-10T11:41:56,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:41:56,678 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 2026-02-10T11:41:56,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:41:56,681 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 2026-02-10T11:41:56,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:41:56,685 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 2026-02-10T11:41:56,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:41:56,688 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 2026-02-10T11:41:56,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:41:56,692 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 2026-02-10T11:41:56,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:41:56,695 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 2026-02-10T11:41:56,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:41:56,699 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 2026-02-10T11:41:56,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:41:56,702 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 2026-02-10T11:41:56,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC 2026-02-10T11:41:56,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:41:56,709 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 2026-02-10T11:41:56,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3 2026-02-10T11:41:56,713 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 2026-02-10T11:41:56,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3 2026-02-10T11:41:56,716 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 2026-02-10T11:41:56,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:41:56,719 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 2026-02-10T11:41:56,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:41:56,723 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 2026-02-10T11:41:56,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3 2026-02-10T11:41:56,726 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 2026-02-10T11:41:56,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:41:56,729 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 2026-02-10T11:41:56,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3 2026-02-10T11:41:56,733 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 2026-02-10T11:41:56,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:41:56,736 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 2026-02-10T11:41:56,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:41:56,740 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 2026-02-10T11:41:56,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut 2026-02-10T11:41:56,743 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 2026-02-10T11:41:56,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F 2026-02-10T11:41:56,746 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 2026-02-10T11:41:56,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H 2026-02-10T11:41:56,750 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 2026-02-10T11:41:56,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2 2026-02-10T11:41:56,753 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 2026-02-10T11:41:56,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3 2026-02-10T11:41:56,757 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 2026-02-10T11:41:56,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3 2026-02-10T11:41:56,760 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 2026-02-10T11:41:56,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3 2026-02-10T11:41:56,763 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 2026-02-10T11:41:56,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz 2026-02-10T11:41:56,767 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 2026-02-10T11:41:56,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:41:56,770 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 2026-02-10T11:41:56,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch 2026-02-10T11:41:56,773 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 2026-02-10T11:41:56,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2 2026-02-10T11:41:56,777 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 2026-02-10T11:41:56,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21 2026-02-10T11:41:56,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1 2026-02-10T11:41:56,782 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 2026-02-10T11:41:56,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3 2026-02-10T11:41:56,786 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 2026-02-10T11:41:56,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2 2026-02-10T11:41:56,789 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 2026-02-10T11:41:56,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2 2026-02-10T11:41:56,792 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 2026-02-10T11:41:56,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e 2026-02-10T11:41:56,796 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 2026-02-10T11:41:56,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e 2026-02-10T11:41:56,799 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 2026-02-10T11:41:56,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3 2026-02-10T11:41:56,802 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 2026-02-10T11:41:56,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3 2026-02-10T11:41:56,806 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 2026-02-10T11:41:56,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e 2026-02-10T11:41:56,809 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 2026-02-10T11:41:56,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1 2026-02-10T11:41:56,812 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 2026-02-10T11:41:56,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1 2026-02-10T11:41:56,816 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 2026-02-10T11:41:56,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2 2026-02-10T11:41:56,819 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 2026-02-10T11:41:56,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3 2026-02-10T11:41:56,822 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 2026-02-10T11:41:56,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e 2026-02-10T11:41:56,826 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 2026-02-10T11:41:56,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5 2026-02-10T11:41:56,829 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 2026-02-10T11:41:56,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int 2026-02-10T11:41:56,833 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 2026-02-10T11:41:56,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1 2026-02-10T11:41:56,837 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 2026-02-10T11:41:56,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p 2026-02-10T11:41:56,840 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 2026-02-10T11:41:56,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr 2026-02-10T11:41:56,843 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 2026-02-10T11:41:56,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1 2026-02-10T11:41:56,847 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 2026-02-10T11:41:56,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2 2026-02-10T11:41:56,850 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 2026-02-10T11:41:56,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p 2026-02-10T11:41:56,853 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 2026-02-10T11:41:56,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me 2026-02-10T11:41:56,857 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 2026-02-10T11:41:56,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene 2026-02-10T11:41:56,861 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 2026-02-10T11:41:56,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2 2026-02-10T11:41:56,864 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 2026-02-10T11:41:56,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6 2026-02-10T11:41:56,868 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 2026-02-10T11:41:56,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e 2026-02-10T11:41:56,871 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 2026-02-10T11:41:56,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e 2026-02-10T11:41:56,875 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 2026-02-10T11:41:56,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4 2026-02-10T11:41:56,878 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 2026-02-10T11:41:56,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3 2026-02-10T11:41:56,881 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 2026-02-10T11:41:56,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1 2026-02-10T11:41:56,885 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 2026-02-10T11:41:56,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1 2026-02-10T11:41:56,888 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 2026-02-10T11:41:56,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3 2026-02-10T11:41:56,892 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 2026-02-10T11:41:56,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e 2026-02-10T11:41:56,895 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 2026-02-10T11:41:56,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2 2026-02-10T11:41:56,899 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 2026-02-10T11:41:56,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1 2026-02-10T11:41:56,902 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 2026-02-10T11:41:56,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e 2026-02-10T11:41:56,907 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 2026-02-10T11:41:56,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2 2026-02-10T11:41:56,912 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 2026-02-10T11:41:56,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1 2026-02-10T11:41:56,916 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 2026-02-10T11:41:56,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e 2026-02-10T11:41:56,921 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 2026-02-10T11:41:56,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e 2026-02-10T11:41:56,926 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 2026-02-10T11:41:56,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20 2026-02-10T11:41:56,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25 2026-02-10T11:41:56,933 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 2026-02-10T11:41:56,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52 2026-02-10T11:41:56,938 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 2026-02-10T11:41:56,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45 2026-02-10T11:41:56,942 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 2026-02-10T11:41:56,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45 2026-02-10T11:41:56,947 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 2026-02-10T11:41:56,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51 2026-02-10T11:41:56,952 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 2026-02-10T11:41:56,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40 2026-02-10T11:41:56,956 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 2026-02-10T11:41:56,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44 2026-02-10T11:41:56,961 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 2026-02-10T11:41:56,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60 2026-02-10T11:41:56,965 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 2026-02-10T11:41:56,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60 2026-02-10T11:41:56,970 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 2026-02-10T11:41:56,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56 2026-02-10T11:41:56,975 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 2026-02-10T11:41:56,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43 2026-02-10T11:41:56,979 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 2026-02-10T11:41:56,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21 2026-02-10T11:41:56,984 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 2026-02-10T11:41:56,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44 2026-02-10T11:41:56,988 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 2026-02-10T11:41:56,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29 2026-02-10T11:41:56,993 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 2026-02-10T11:41:56,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26 2026-02-10T11:41:56,997 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 2026-02-10T11:41:57,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22 2026-02-10T11:41:57,002 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 2026-02-10T11:41:57,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57 2026-02-10T11:41:57,005 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 2026-02-10T11:41:57,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26 2026-02-10T11:41:57,009 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 2026-02-10T11:41:57,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20 2026-02-10T11:41:57,012 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 2026-02-10T11:41:57,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22 2026-02-10T11:41:57,016 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 2026-02-10T11:41:57,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43 2026-02-10T11:41:57,019 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 2026-02-10T11:41:57,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52 2026-02-10T11:41:57,022 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 2026-02-10T11:41:57,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47 2026-02-10T11:41:57,026 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 2026-02-10T11:41:57,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47 2026-02-10T11:41:57,029 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 2026-02-10T11:41:57,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28 2026-02-10T11:41:57,032 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 2026-02-10T11:41:57,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49 2026-02-10T11:41:57,036 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 2026-02-10T11:41:57,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48 2026-02-10T11:41:57,040 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 2026-02-10T11:41:57,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49 2026-02-10T11:41:57,043 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 2026-02-10T11:41:57,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48 2026-02-10T11:41:57,046 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 2026-02-10T11:41:57,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20 2026-02-10T11:41:57,050 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 2026-02-10T11:41:57,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46 2026-02-10T11:41:57,053 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 2026-02-10T11:41:57,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51 2026-02-10T11:41:57,057 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 2026-02-10T11:41:57,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40 2026-02-10T11:41:57,061 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 2026-02-10T11:41:57,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46 2026-02-10T11:41:57,064 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 2026-02-10T11:41:57,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25 2026-02-10T11:41:57,068 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 2026-02-10T11:41:57,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56 2026-02-10T11:41:57,071 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 2026-02-10T11:41:57,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05 2026-02-10T11:41:57,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:41:57,078 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 2026-02-10T11:41:57,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1 2026-02-10T11:41:57,082 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 2026-02-10T11:41:57,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2 2026-02-10T11:41:57,086 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 2026-02-10T11:41:57,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1 2026-02-10T11:41:57,089 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 2026-02-10T11:41:57,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic 2026-02-10T11:41:57,092 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 2026-02-10T11:41:57,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64 2026-02-10T11:41:57,096 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 2026-02-10T11:41:57,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr 2026-02-10T11:41:57,099 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 2026-02-10T11:41:57,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr 2026-02-10T11:41:57,103 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 2026-02-10T11:41:57,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A 2026-02-10T11:41:57,106 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 2026-02-10T11:41:57,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo 2026-02-10T11:41:57,109 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 2026-02-10T11:41:57,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A 2026-02-10T11:41:57,113 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 2026-02-10T11:41:57,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh 2026-02-10T11:41:57,116 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 2026-02-10T11:41:57,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2 2026-02-10T11:41:57,120 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 2026-02-10T11:41:57,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc 2026-02-10T11:41:57,123 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 2026-02-10T11:41:57,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe 2026-02-10T11:41:57,127 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 2026-02-10T11:41:57,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4 2026-02-10T11:41:57,130 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 2026-02-10T11:41:57,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74 2026-02-10T11:41:57,133 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 2026-02-10T11:41:57,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:41:57,137 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+ 2026-02-10T11:41:57,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:41:57,140 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 2026-02-10T11:41:57,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:41:57,143 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 2026-02-10T11:41:57,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2 2026-02-10T11:41:57,147 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 2026-02-10T11:41:57,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he 2026-02-10T11:41:57,150 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 2026-02-10T11:41:57,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm 2026-02-10T11:41:57,154 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 2026-02-10T11:41:57,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s 2026-02-10T11:41:57,157 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 2026-02-10T11:41:57,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf 2026-02-10T11:41:57,160 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 2026-02-10T11:41:57,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3 2026-02-10T11:41:57,164 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 2026-02-10T11:41:57,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots 2026-02-10T11:41:57,167 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 2026-02-10T11:41:57,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+ 2026-02-10T11:41:57,171 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+ 2026-02-10T11:41:57,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21 2026-02-10T11:41:57,174 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 2026-02-10T11:41:57,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3 2026-02-10T11:41:57,178 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 2026-02-10T11:41:57,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:41:57,181 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 2026-02-10T11:41:57,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18 2026-02-10T11:41:57,185 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 2026-02-10T11:41:57,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20 2026-02-10T11:41:57,188 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 2026-02-10T11:41:57,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34 2026-02-10T11:41:57,192 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 2026-02-10T11:41:57,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13 2026-02-10T11:41:57,195 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 2026-02-10T11:41:57,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:41:57,199 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 2026-02-10T11:41:57,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:41:57,203 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 2026-02-10T11:41:57,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:41:57,206 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 2026-02-10T11:41:57,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b 2026-02-10T11:41:57,210 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 2026-02-10T11:41:57,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O 2026-02-10T11:41:57,213 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 2026-02-10T11:41:57,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2 2026-02-10T11:41:57,217 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 2026-02-10T11:41:57,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76 2026-02-10T11:41:57,220 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 2026-02-10T11:41:57,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A 2026-02-10T11:41:57,223 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 2026-02-10T11:41:57,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2 2026-02-10T11:41:57,227 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 2026-02-10T11:41:57,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+ 2026-02-10T11:41:57,230 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+ 2026-02-10T11:41:57,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:41:57,233 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 2026-02-10T11:41:57,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs 2026-02-10T11:41:57,237 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 2026-02-10T11:41:57,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B 2026-02-10T11:41:57,240 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 2026-02-10T11:41:57,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17 2026-02-10T11:41:57,243 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 2026-02-10T11:41:57,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48 2026-02-10T11:41:57,246 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 2026-02-10T11:41:57,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1 2026-02-10T11:41:57,250 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 2026-02-10T11:41:57,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p 2026-02-10T11:41:57,253 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 2026-02-10T11:41:57,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45 2026-02-10T11:41:57,257 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 2026-02-10T11:41:57,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH 2026-02-10T11:41:57,260 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 2026-02-10T11:41:57,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20 2026-02-10T11:41:57,263 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 2026-02-10T11:41:57,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o 2026-02-10T11:41:57,266 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 2026-02-10T11:41:57,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh 2026-02-10T11:41:57,269 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 2026-02-10T11:41:57,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be 2026-02-10T11:41:57,273 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 2026-02-10T11:41:57,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20 2026-02-10T11:41:57,277 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 2026-02-10T11:41:57,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3 2026-02-10T11:41:57,281 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 2026-02-10T11:41:57,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1 2026-02-10T11:41:57,284 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 2026-02-10T11:41:57,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S 2026-02-10T11:41:57,288 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 2026-02-10T11:41:57,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80 2026-02-10T11:41:57,291 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 2026-02-10T11:41:57,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf 2026-02-10T11:41:57,294 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 2026-02-10T11:41:57,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14 2026-02-10T11:41:57,298 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 2026-02-10T11:41:57,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59 2026-02-10T11:41:57,301 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 2026-02-10T11:41:57,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3 2026-02-10T11:41:57,304 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 2026-02-10T11:41:57,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02 2026-02-10T11:41:57,308 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 2026-02-10T11:41:57,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:41:57,312 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 2026-02-10T11:41:57,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A 2026-02-10T11:41:57,315 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 2026-02-10T11:41:57,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl 2026-02-10T11:41:57,319 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 2026-02-10T11:41:57,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73 2026-02-10T11:41:57,322 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 2026-02-10T11:41:57,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo 2026-02-10T11:41:57,325 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 2026-02-10T11:41:57,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco 2026-02-10T11:41:57,328 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 2026-02-10T11:41:57,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao 2026-02-10T11:41:57,332 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 2026-02-10T11:41:57,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B 2026-02-10T11:41:57,335 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 2026-02-10T11:41:57,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si 2026-02-10T11:41:57,338 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 2026-02-10T11:41:57,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A 2026-02-10T11:41:57,341 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 2026-02-10T11:41:57,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p 2026-02-10T11:41:57,345 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 2026-02-10T11:41:57,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:41:57,348 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 2026-02-10T11:41:57,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:41:57,351 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 2026-02-10T11:41:57,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h 2026-02-10T11:41:57,355 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 2026-02-10T11:41:57,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:41:57,358 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+ 2026-02-10T11:41:57,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca 2026-02-10T11:41:57,362 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 2026-02-10T11:41:57,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2 2026-02-10T11:41:57,365 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 2026-02-10T11:41:57,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4 2026-02-10T11:41:57,368 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 2026-02-10T11:41:57,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:41:57,371 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 2026-02-10T11:41:57,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2 2026-02-10T11:41:57,375 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 2026-02-10T11:41:57,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne 2026-02-10T11:41:57,378 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 2026-02-10T11:41:57,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A 2026-02-10T11:41:57,382 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 2026-02-10T11:41:57,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B 2026-02-10T11:41:57,385 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 2026-02-10T11:41:57,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25 2026-02-10T11:41:57,388 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 2026-02-10T11:41:57,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20 2026-02-10T11:41:57,392 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 2026-02-10T11:41:57,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s 2026-02-10T11:41:57,395 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 2026-02-10T11:41:57,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B 2026-02-10T11:41:57,398 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 2026-02-10T11:41:57,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4 2026-02-10T11:41:57,401 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 2026-02-10T11:41:57,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10 2026-02-10T11:41:57,405 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 2026-02-10T11:41:57,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:41:57,408 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 2026-02-10T11:41:57,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k 2026-02-10T11:41:57,412 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 2026-02-10T11:41:57,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg 2026-02-10T11:41:57,415 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 2026-02-10T11:41:57,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67 2026-02-10T11:41:57,419 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 2026-02-10T11:41:57,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:41:57,422 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 2026-02-10T11:41:57,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78 2026-02-10T11:41:57,425 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 2026-02-10T11:41:57,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43 2026-02-10T11:41:57,429 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 2026-02-10T11:41:57,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts 2026-02-10T11:41:57,432 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 2026-02-10T11:41:57,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A 2026-02-10T11:41:57,435 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 2026-02-10T11:41:57,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3 2026-02-10T11:41:57,439 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 2026-02-10T11:41:57,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25 2026-02-10T11:41:57,443 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 2026-02-10T11:41:57,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:41:57,446 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 2026-02-10T11:41:57,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf 2026-02-10T11:41:57,450 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 2026-02-10T11:41:57,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2 2026-02-10T11:41:57,453 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 2026-02-10T11:41:57,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH 2026-02-10T11:41:57,457 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 2026-02-10T11:41:57,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a 2026-02-10T11:41:57,460 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 2026-02-10T11:41:57,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:41:57,464 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 2026-02-10T11:41:57,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B 2026-02-10T11:41:57,467 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 2026-02-10T11:41:57,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47 2026-02-10T11:41:57,470 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 2026-02-10T11:41:57,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4 2026-02-10T11:41:57,474 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 2026-02-10T11:41:57,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+ 2026-02-10T11:41:57,477 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+ 2026-02-10T11:41:57,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6 2026-02-10T11:41:57,480 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 2026-02-10T11:41:57,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B 2026-02-10T11:41:57,484 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 2026-02-10T11:41:57,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f 2026-02-10T11:41:57,487 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 2026-02-10T11:41:57,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:41:57,490 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 2026-02-10T11:41:57,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A 2026-02-10T11:41:57,494 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 2026-02-10T11:41:57,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s 2026-02-10T11:41:57,497 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 2026-02-10T11:41:57,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar 2026-02-10T11:41:57,500 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 2026-02-10T11:41:57,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2 2026-02-10T11:41:57,504 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 2026-02-10T11:41:57,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:41:57,508 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 2026-02-10T11:41:57,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s 2026-02-10T11:41:57,511 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 2026-02-10T11:41:57,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl 2026-02-10T11:41:57,514 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 2026-02-10T11:41:57,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40 2026-02-10T11:41:57,517 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 2026-02-10T11:41:57,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:41:57,521 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 2026-02-10T11:41:57,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b 2026-02-10T11:41:57,524 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 2026-02-10T11:41:57,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:41:57,528 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 2026-02-10T11:41:57,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12 2026-02-10T11:41:57,531 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 2026-02-10T11:41:57,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh 2026-02-10T11:41:57,535 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 2026-02-10T11:41:57,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B 2026-02-10T11:41:57,538 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 2026-02-10T11:41:57,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71 2026-02-10T11:41:57,541 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 2026-02-10T11:41:57,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5 2026-02-10T11:41:57,545 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 2026-02-10T11:41:57,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24 2026-02-10T11:41:57,548 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 2026-02-10T11:41:57,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2 2026-02-10T11:41:57,552 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 2026-02-10T11:41:57,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts 2026-02-10T11:41:57,555 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 2026-02-10T11:41:57,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2 2026-02-10T11:41:57,559 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 2026-02-10T11:41:57,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:41:57,562 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 2026-02-10T11:41:57,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr 2026-02-10T11:41:57,565 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 2026-02-10T11:41:57,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c 2026-02-10T11:41:57,569 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 2026-02-10T11:41:57,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2 2026-02-10T11:41:57,572 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 2026-02-10T11:41:57,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f 2026-02-10T11:41:57,576 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 2026-02-10T11:41:57,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn 2026-02-10T11:41:57,579 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 2026-02-10T11:41:57,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:41:57,583 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 2026-02-10T11:41:57,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+ 2026-02-10T11:41:57,587 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+ 2026-02-10T11:41:57,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3 2026-02-10T11:41:57,590 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 2026-02-10T11:41:57,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2 2026-02-10T11:41:57,593 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 2026-02-10T11:41:57,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+ 2026-02-10T11:41:57,597 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+ 2026-02-10T11:41:57,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39 2026-02-10T11:41:57,600 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 2026-02-10T11:41:57,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4 2026-02-10T11:41:57,604 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 2026-02-10T11:41:57,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al 2026-02-10T11:41:57,607 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 2026-02-10T11:41:57,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:41:57,610 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 2026-02-10T11:41:57,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn 2026-02-10T11:41:57,614 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 2026-02-10T11:41:57,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68 2026-02-10T11:41:57,617 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 2026-02-10T11:41:57,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl 2026-02-10T11:41:57,620 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 2026-02-10T11:41:57,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58 2026-02-10T11:41:57,624 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 2026-02-10T11:41:57,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:41:57,627 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 2026-02-10T11:41:57,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:41:57,631 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- 2026-02-10T11:41:57,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:41:57,634 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 2026-02-10T11:41:57,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8 2026-02-10T11:41:57,637 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 2026-02-10T11:41:57,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:41:57,640 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 2026-02-10T11:41:57,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp 2026-02-10T11:41:57,644 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 2026-02-10T11:41:57,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2 2026-02-10T11:41:57,647 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 2026-02-10T11:41:57,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2 2026-02-10T11:41:57,651 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 2026-02-10T11:41:57,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:41:57,654 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 2026-02-10T11:41:57,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18 2026-02-10T11:41:57,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:41:57,660 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 2026-02-10T11:41:57,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:41:57,663 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 2026-02-10T11:41:57,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s 2026-02-10T11:41:57,666 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 2026-02-10T11:41:57,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3 2026-02-10T11:41:57,670 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 2026-02-10T11:41:57,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:41:57,673 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 2026-02-10T11:41:57,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s 2026-02-10T11:41:57,676 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 2026-02-10T11:41:57,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:41:57,680 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 2026-02-10T11:41:57,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3 2026-02-10T11:41:57,683 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 2026-02-10T11:41:57,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3 2026-02-10T11:41:57,687 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 2026-02-10T11:41:57,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:41:57,690 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 2026-02-10T11:41:57,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:41:57,694 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 2026-02-10T11:41:57,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:41:57,697 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 2026-02-10T11:41:57,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3 2026-02-10T11:41:57,700 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 2026-02-10T11:41:57,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:41:57,704 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 2026-02-10T11:41:57,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:41:57,707 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 2026-02-10T11:41:57,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:41:57,710 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 2026-02-10T11:41:57,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:41:57,714 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 2026-02-10T11:41:57,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:41:57,717 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 2026-02-10T11:41:57,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3 2026-02-10T11:41:57,721 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 2026-02-10T11:41:57,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3 2026-02-10T11:41:57,724 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 2026-02-10T11:41:57,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:41:57,728 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 2026-02-10T11:41:57,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:41:57,731 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 2026-02-10T11:41:57,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s 2026-02-10T11:41:57,735 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 2026-02-10T11:41:57,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:41:57,738 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 2026-02-10T11:41:57,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2 2026-02-10T11:41:57,741 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 2026-02-10T11:41:57,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:41:57,745 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 2026-02-10T11:41:57,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:41:57,748 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 2026-02-10T11:41:57,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:41:57,752 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 2026-02-10T11:41:57,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22 2026-02-10T11:41:57,756 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 2026-02-10T11:41:57,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF 2026-02-10T11:41:57,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX 2026-02-10T11:41:57,760 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 2026-02-10T11:41:57,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:41:57,764 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- 2026-02-10T11:41:57,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:41:57,767 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+ 2026-02-10T11:41:57,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:41:57,771 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- 2026-02-10T11:41:57,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg 2026-02-10T11:41:57,774 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 2026-02-10T11:41:57,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T 2026-02-10T11:41:57,778 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 2026-02-10T11:41:57,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt 2026-02-10T11:41:57,781 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 2026-02-10T11:41:57,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG 2026-02-10T11:41:57,784 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 2026-02-10T11:41:57,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:41:57,788 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+ 2026-02-10T11:41:57,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt 2026-02-10T11:41:57,791 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 2026-02-10T11:41:57,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:41:57,794 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- 2026-02-10T11:41:57,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg 2026-02-10T11:41:57,798 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 2026-02-10T11:41:57,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt 2026-02-10T11:41:57,801 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 2026-02-10T11:41:57,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G 2026-02-10T11:41:57,804 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 2026-02-10T11:41:57,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG 2026-02-10T11:41:57,808 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 2026-02-10T11:41:57,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg 2026-02-10T11:41:57,811 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 2026-02-10T11:41:57,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT 2026-02-10T11:41:57,814 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 2026-02-10T11:41:57,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:41:57,818 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- 2026-02-10T11:41:57,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36 2026-02-10T11:41:57,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1 2026-02-10T11:41:57,823 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 2026-02-10T11:41:57,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10 2026-02-10T11:41:57,827 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 2026-02-10T11:41:57,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5 2026-02-10T11:41:57,830 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 2026-02-10T11:41:57,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7 2026-02-10T11:41:57,833 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 2026-02-10T11:41:57,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6 2026-02-10T11:41:57,837 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 2026-02-10T11:41:57,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15 2026-02-10T11:41:57,841 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 2026-02-10T11:41:57,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6 2026-02-10T11:41:57,844 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 2026-02-10T11:41:57,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16 2026-02-10T11:41:57,847 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 2026-02-10T11:41:57,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5 2026-02-10T11:41:57,851 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 2026-02-10T11:41:57,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4 2026-02-10T11:41:57,854 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 2026-02-10T11:41:57,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2 2026-02-10T11:41:57,857 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 2026-02-10T11:41:57,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4 2026-02-10T11:41:57,861 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 2026-02-10T11:41:57,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7 2026-02-10T11:41:57,864 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 2026-02-10T11:41:57,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4 2026-02-10T11:41:57,867 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 2026-02-10T11:41:57,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8 2026-02-10T11:41:57,871 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 2026-02-10T11:41:57,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10 2026-02-10T11:41:57,874 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 2026-02-10T11:41:57,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11 2026-02-10T11:41:57,878 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 2026-02-10T11:41:57,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14 2026-02-10T11:41:57,881 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 2026-02-10T11:41:57,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9 2026-02-10T11:41:57,884 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 2026-02-10T11:41:57,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6 2026-02-10T11:41:57,887 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 2026-02-10T11:41:57,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3 2026-02-10T11:41:57,891 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 2026-02-10T11:41:57,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14 2026-02-10T11:41:57,894 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 2026-02-10T11:41:57,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15 2026-02-10T11:41:57,898 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 2026-02-10T11:41:57,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12 2026-02-10T11:41:57,901 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 2026-02-10T11:41:57,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13 2026-02-10T11:41:57,905 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 2026-02-10T11:41:57,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1 2026-02-10T11:41:57,908 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 2026-02-10T11:41:57,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3 2026-02-10T11:41:57,912 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 2026-02-10T11:41:57,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4 2026-02-10T11:41:57,916 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 2026-02-10T11:41:57,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11 2026-02-10T11:41:57,919 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 2026-02-10T11:41:57,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3 2026-02-10T11:41:57,923 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 2026-02-10T11:41:57,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1 2026-02-10T11:41:57,926 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 2026-02-10T11:41:57,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12 2026-02-10T11:41:57,930 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 2026-02-10T11:41:57,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5 2026-02-10T11:41:57,933 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 2026-02-10T11:41:57,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2 2026-02-10T11:41:57,937 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 2026-02-10T11:41:57,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8 2026-02-10T11:41:57,940 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 2026-02-10T11:41:57,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9 2026-02-10T11:41:57,943 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 2026-02-10T11:41:57,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13 2026-02-10T11:41:57,947 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 2026-02-10T11:41:57,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2 2026-02-10T11:41:57,951 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 2026-02-10T11:41:57,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10 2026-02-10T11:41:57,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2 2026-02-10T11:41:57,957 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 2026-02-10T11:41:57,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9 2026-02-10T11:41:57,961 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 2026-02-10T11:41:57,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6 2026-02-10T11:41:57,964 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 2026-02-10T11:41:57,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1 2026-02-10T11:41:57,967 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 2026-02-10T11:41:57,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2 2026-02-10T11:41:57,971 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 2026-02-10T11:41:57,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1 2026-02-10T11:41:57,974 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 2026-02-10T11:41:57,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7 2026-02-10T11:41:57,978 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 2026-02-10T11:41:57,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10 2026-02-10T11:41:57,981 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 2026-02-10T11:41:57,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5 2026-02-10T11:41:57,984 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 2026-02-10T11:41:57,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4 2026-02-10T11:41:57,987 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 2026-02-10T11:41:57,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10 2026-02-10T11:41:57,991 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 2026-02-10T11:41:57,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9 2026-02-10T11:41:57,994 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 2026-02-10T11:41:57,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3 2026-02-10T11:41:57,998 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 2026-02-10T11:41:58,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5 2026-02-10T11:41:58,001 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 2026-02-10T11:41:58,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4 2026-02-10T11:41:58,005 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 2026-02-10T11:41:58,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7 2026-02-10T11:41:58,008 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 2026-02-10T11:41:58,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8 2026-02-10T11:41:58,012 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 2026-02-10T11:41:58,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8 2026-02-10T11:41:58,015 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 2026-02-10T11:41:58,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6 2026-02-10T11:41:58,019 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 2026-02-10T11:41:58,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3 2026-02-10T11:41:58,022 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 2026-02-10T11:41:58,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC 2026-02-10T11:41:58,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:41:58,028 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 2026-02-10T11:41:58,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20 2026-02-10T11:41:58,031 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 2026-02-10T11:41:58,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8 2026-02-10T11:41:58,034 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 2026-02-10T11:41:58,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh 2026-02-10T11:41:58,038 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 2026-02-10T11:41:58,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc 2026-02-10T11:41:58,041 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 2026-02-10T11:41:58,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh- 2026-02-10T11:41:58,044 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- 2026-02-10T11:41:58,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19 2026-02-10T11:41:58,048 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 2026-02-10T11:41:58,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:41:58,051 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 2026-02-10T11:41:58,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:41:58,055 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 2026-02-10T11:41:58,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf 2026-02-10T11:41:58,059 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 2026-02-10T11:41:58,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co 2026-02-10T11:41:58,062 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 2026-02-10T11:41:58,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots 2026-02-10T11:41:58,065 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 2026-02-10T11:41:58,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:41:58,069 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 2026-02-10T11:41:58,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07 2026-02-10T11:41:58,072 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 2026-02-10T11:41:58,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:41:58,076 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 2026-02-10T11:41:58,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2 2026-02-10T11:41:58,079 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 2026-02-10T11:41:58,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:41:58,083 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 2026-02-10T11:41:58,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4 2026-02-10T11:41:58,086 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 2026-02-10T11:41:58,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f- 2026-02-10T11:41:58,090 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- 2026-02-10T11:41:58,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O 2026-02-10T11:41:58,093 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 2026-02-10T11:41:58,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2 2026-02-10T11:41:58,097 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 2026-02-10T11:41:58,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2 2026-02-10T11:41:58,101 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 2026-02-10T11:41:58,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3 2026-02-10T11:41:58,104 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 2026-02-10T11:41:58,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17 2026-02-10T11:41:58,107 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 2026-02-10T11:41:58,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22 2026-02-10T11:41:58,110 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 2026-02-10T11:41:58,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14 2026-02-10T11:41:58,114 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 2026-02-10T11:41:58,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13 2026-02-10T11:41:58,117 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 2026-02-10T11:41:58,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H 2026-02-10T11:41:58,120 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 2026-02-10T11:41:58,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:41:58,123 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 2026-02-10T11:41:58,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS 2026-02-10T11:41:58,127 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 2026-02-10T11:41:58,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl- 2026-02-10T11:41:58,130 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- 2026-02-10T11:41:58,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:41:58,133 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 2026-02-10T11:41:58,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S 2026-02-10T11:41:58,137 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 2026-02-10T11:41:58,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf 2026-02-10T11:41:58,140 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 2026-02-10T11:41:58,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04 2026-02-10T11:41:58,144 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 2026-02-10T11:41:58,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3 2026-02-10T11:41:58,147 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 2026-02-10T11:41:58,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02 2026-02-10T11:41:58,150 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 2026-02-10T11:41:58,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco 2026-02-10T11:41:58,153 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 2026-02-10T11:41:58,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16 2026-02-10T11:41:58,157 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 2026-02-10T11:41:58,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h 2026-02-10T11:41:58,160 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 2026-02-10T11:41:58,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18 2026-02-10T11:41:58,163 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 2026-02-10T11:41:58,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:41:58,167 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 2026-02-10T11:41:58,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6 2026-02-10T11:41:58,170 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 2026-02-10T11:41:58,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:41:58,174 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 2026-02-10T11:41:58,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4 2026-02-10T11:41:58,177 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 2026-02-10T11:41:58,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2 2026-02-10T11:41:58,180 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 2026-02-10T11:41:58,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11 2026-02-10T11:41:58,184 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 2026-02-10T11:41:58,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:41:58,187 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 2026-02-10T11:41:58,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:41:58,190 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 2026-02-10T11:41:58,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01 2026-02-10T11:41:58,194 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 2026-02-10T11:41:58,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10 2026-02-10T11:41:58,197 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 2026-02-10T11:41:58,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:41:58,200 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 2026-02-10T11:41:58,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:41:58,204 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 2026-02-10T11:41:58,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts 2026-02-10T11:41:58,207 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 2026-02-10T11:41:58,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2 2026-02-10T11:41:58,211 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 2026-02-10T11:41:58,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5 2026-02-10T11:41:58,214 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 2026-02-10T11:41:58,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12 2026-02-10T11:41:58,217 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 2026-02-10T11:41:58,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06 2026-02-10T11:41:58,221 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 2026-02-10T11:41:58,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:41:58,224 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 2026-02-10T11:41:58,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15 2026-02-10T11:41:58,228 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 2026-02-10T11:41:58,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7 2026-02-10T11:41:58,231 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 2026-02-10T11:41:58,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O 2026-02-10T11:41:58,234 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 2026-02-10T11:41:58,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08 2026-02-10T11:41:58,237 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 2026-02-10T11:41:58,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:41:58,240 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 2026-02-10T11:41:58,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05 2026-02-10T11:41:58,244 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 2026-02-10T11:41:58,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:41:58,247 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 2026-02-10T11:41:58,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f 2026-02-10T11:41:58,251 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 2026-02-10T11:41:58,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl 2026-02-10T11:41:58,254 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 2026-02-10T11:41:58,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2 2026-02-10T11:41:58,257 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 2026-02-10T11:41:58,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts 2026-02-10T11:41:58,261 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 2026-02-10T11:41:58,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:41:58,265 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 2026-02-10T11:41:58,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03 2026-02-10T11:41:58,268 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 2026-02-10T11:41:58,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:41:58,271 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 2026-02-10T11:41:58,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:41:58,274 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 2026-02-10T11:41:58,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts 2026-02-10T11:41:58,278 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 2026-02-10T11:41:58,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2 2026-02-10T11:41:58,281 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 2026-02-10T11:41:58,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o 2026-02-10T11:41:58,285 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 2026-02-10T11:41:58,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:41:58,288 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 2026-02-10T11:41:58,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f 2026-02-10T11:41:58,291 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 2026-02-10T11:41:58,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3 2026-02-10T11:41:58,295 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 2026-02-10T11:41:58,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21 2026-02-10T11:41:58,298 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 2026-02-10T11:41:58,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn 2026-02-10T11:41:58,302 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 2026-02-10T11:41:58,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl 2026-02-10T11:41:58,305 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 2026-02-10T11:41:58,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5 2026-02-10T11:41:58,309 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 2026-02-10T11:41:58,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH 2026-02-10T11:41:58,312 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 2026-02-10T11:41:58,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09 2026-02-10T11:41:58,315 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 2026-02-10T11:41:58,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel 2026-02-10T11:41:58,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3 2026-02-10T11:41:58,321 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 2026-02-10T11:41:58,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42 2026-02-10T11:41:58,324 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 2026-02-10T11:41:58,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71 2026-02-10T11:41:58,327 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 2026-02-10T11:41:58,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:41:58,331 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 2026-02-10T11:41:58,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0 2026-02-10T11:41:58,334 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 2026-02-10T11:41:58,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42 2026-02-10T11:41:58,338 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 2026-02-10T11:41:58,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42 2026-02-10T11:41:58,341 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 2026-02-10T11:41:58,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3 2026-02-10T11:41:58,345 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 2026-02-10T11:41:58,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:41:58,348 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 2026-02-10T11:41:58,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1 2026-02-10T11:41:58,351 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 2026-02-10T11:41:58,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0 2026-02-10T11:41:58,355 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 2026-02-10T11:41:58,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0 2026-02-10T11:41:58,358 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 2026-02-10T11:41:58,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2 2026-02-10T11:41:58,361 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 2026-02-10T11:41:58,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4 2026-02-10T11:41:58,365 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 2026-02-10T11:41:58,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43 2026-02-10T11:41:58,368 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 2026-02-10T11:41:58,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71 2026-02-10T11:41:58,371 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 2026-02-10T11:41:58,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:41:58,375 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 2026-02-10T11:41:58,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2 2026-02-10T11:41:58,378 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 2026-02-10T11:41:58,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41 2026-02-10T11:41:58,382 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 2026-02-10T11:41:58,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72 2026-02-10T11:41:58,385 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 2026-02-10T11:41:58,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1 2026-02-10T11:41:58,388 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 2026-02-10T11:41:58,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72 2026-02-10T11:41:58,392 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 2026-02-10T11:41:58,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41 2026-02-10T11:41:58,397 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 2026-02-10T11:41:58,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2 2026-02-10T11:41:58,400 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 2026-02-10T11:41:58,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1 2026-02-10T11:41:58,403 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 2026-02-10T11:41:58,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41 2026-02-10T11:41:58,407 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 2026-02-10T11:41:58,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3 2026-02-10T11:41:58,410 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 2026-02-10T11:41:58,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2 2026-02-10T11:41:58,414 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 2026-02-10T11:41:58,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0 2026-02-10T11:41:58,417 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 2026-02-10T11:41:58,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0 2026-02-10T11:41:58,421 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 2026-02-10T11:41:58,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2 2026-02-10T11:41:58,424 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 2026-02-10T11:41:58,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66 2026-02-10T11:41:58,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A 2026-02-10T11:41:58,435 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 2026-02-10T11:41:58,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B 2026-02-10T11:41:58,440 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 2026-02-10T11:41:58,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B 2026-02-10T11:41:58,443 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 2026-02-10T11:41:58,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A 2026-02-10T11:41:58,446 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 2026-02-10T11:41:58,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07 2026-02-10T11:41:58,449 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 2026-02-10T11:41:58,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A 2026-02-10T11:41:58,453 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 2026-02-10T11:41:58,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A 2026-02-10T11:41:58,456 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 2026-02-10T11:41:58,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B 2026-02-10T11:41:58,459 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 2026-02-10T11:41:58,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A 2026-02-10T11:41:58,463 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 2026-02-10T11:41:58,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A 2026-02-10T11:41:58,466 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 2026-02-10T11:41:58,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B 2026-02-10T11:41:58,470 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 2026-02-10T11:41:58,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B 2026-02-10T11:41:58,473 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 2026-02-10T11:41:58,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36 2026-02-10T11:41:58,476 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 2026-02-10T11:41:58,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B 2026-02-10T11:41:58,480 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 2026-02-10T11:41:58,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02 2026-02-10T11:41:58,483 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 2026-02-10T11:41:58,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B 2026-02-10T11:41:58,487 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 2026-02-10T11:41:58,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A 2026-02-10T11:41:58,490 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 2026-02-10T11:41:58,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A 2026-02-10T11:41:58,494 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 2026-02-10T11:41:58,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B 2026-02-10T11:41:58,497 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 2026-02-10T11:41:58,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64 2026-02-10T11:41:58,500 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 2026-02-10T11:41:58,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A 2026-02-10T11:41:58,504 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 2026-02-10T11:41:58,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12 2026-02-10T11:41:58,507 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 2026-02-10T11:41:58,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A 2026-02-10T11:41:58,511 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 2026-02-10T11:41:58,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A 2026-02-10T11:41:58,514 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 2026-02-10T11:41:58,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A 2026-02-10T11:41:58,517 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 2026-02-10T11:41:58,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B 2026-02-10T11:41:58,521 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 2026-02-10T11:41:58,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B 2026-02-10T11:41:58,524 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 2026-02-10T11:41:58,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B 2026-02-10T11:41:58,527 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 2026-02-10T11:41:58,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A 2026-02-10T11:41:58,531 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 2026-02-10T11:41:58,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27 2026-02-10T11:41:58,534 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 2026-02-10T11:41:58,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A 2026-02-10T11:41:58,537 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 2026-02-10T11:41:58,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18 2026-02-10T11:41:58,540 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 2026-02-10T11:41:58,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B 2026-02-10T11:41:58,544 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 2026-02-10T11:41:58,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A 2026-02-10T11:41:58,547 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 2026-02-10T11:41:58,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A 2026-02-10T11:41:58,551 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 2026-02-10T11:41:58,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34 2026-02-10T11:41:58,554 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 2026-02-10T11:41:58,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13 2026-02-10T11:41:58,558 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 2026-02-10T11:41:58,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A 2026-02-10T11:41:58,561 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 2026-02-10T11:41:58,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62 2026-02-10T11:41:58,565 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 2026-02-10T11:41:58,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A 2026-02-10T11:41:58,568 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 2026-02-10T11:41:58,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B 2026-02-10T11:41:58,572 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 2026-02-10T11:41:58,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B 2026-02-10T11:41:58,575 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 2026-02-10T11:41:58,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A 2026-02-10T11:41:58,579 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 2026-02-10T11:41:58,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B 2026-02-10T11:41:58,582 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 2026-02-10T11:41:58,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A 2026-02-10T11:41:58,586 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 2026-02-10T11:41:58,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A 2026-02-10T11:41:58,589 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 2026-02-10T11:41:58,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B 2026-02-10T11:41:58,592 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 2026-02-10T11:41:58,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48 2026-02-10T11:41:58,596 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 2026-02-10T11:41:58,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B 2026-02-10T11:41:58,599 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 2026-02-10T11:41:58,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45 2026-02-10T11:41:58,602 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 2026-02-10T11:41:58,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46 2026-02-10T11:41:58,606 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 2026-02-10T11:41:58,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B 2026-02-10T11:41:58,609 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 2026-02-10T11:41:58,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A 2026-02-10T11:41:58,612 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 2026-02-10T11:41:58,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66 2026-02-10T11:41:58,616 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 2026-02-10T11:41:58,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B 2026-02-10T11:41:58,619 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 2026-02-10T11:41:58,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38 2026-02-10T11:41:58,622 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 2026-02-10T11:41:58,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49 2026-02-10T11:41:58,625 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 2026-02-10T11:41:58,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A 2026-02-10T11:41:58,629 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 2026-02-10T11:41:58,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A 2026-02-10T11:41:58,632 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 2026-02-10T11:41:58,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A 2026-02-10T11:41:58,635 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 2026-02-10T11:41:58,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05 2026-02-10T11:41:58,639 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 2026-02-10T11:41:58,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20 2026-02-10T11:41:58,642 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 2026-02-10T11:41:58,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01 2026-02-10T11:41:58,645 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 2026-02-10T11:41:58,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A 2026-02-10T11:41:58,649 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 2026-02-10T11:41:58,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55 2026-02-10T11:41:58,652 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 2026-02-10T11:41:58,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A 2026-02-10T11:41:58,656 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 2026-02-10T11:41:58,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61 2026-02-10T11:41:58,659 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 2026-02-10T11:41:58,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B 2026-02-10T11:41:58,662 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 2026-02-10T11:41:58,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A 2026-02-10T11:41:58,666 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 2026-02-10T11:41:58,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B 2026-02-10T11:41:58,669 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 2026-02-10T11:41:58,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59 2026-02-10T11:41:58,672 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 2026-02-10T11:41:58,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08 2026-02-10T11:41:58,676 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 2026-02-10T11:41:58,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B 2026-02-10T11:41:58,679 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 2026-02-10T11:41:58,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B 2026-02-10T11:41:58,684 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 2026-02-10T11:41:58,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A 2026-02-10T11:41:58,687 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 2026-02-10T11:41:58,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B 2026-02-10T11:41:58,690 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 2026-02-10T11:41:58,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A 2026-02-10T11:41:58,694 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 2026-02-10T11:41:58,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B 2026-02-10T11:41:58,697 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 2026-02-10T11:41:58,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41 2026-02-10T11:41:58,701 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 2026-02-10T11:41:58,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63 2026-02-10T11:41:58,704 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 2026-02-10T11:41:58,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B 2026-02-10T11:41:58,708 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 2026-02-10T11:41:58,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B 2026-02-10T11:41:58,712 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 2026-02-10T11:41:58,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B 2026-02-10T11:41:58,715 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 2026-02-10T11:41:58,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B 2026-02-10T11:41:58,718 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 2026-02-10T11:41:58,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04 2026-02-10T11:41:58,722 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 2026-02-10T11:41:58,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A 2026-02-10T11:41:58,725 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 2026-02-10T11:41:58,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A 2026-02-10T11:41:58,729 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 2026-02-10T11:41:58,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16 2026-02-10T11:41:58,732 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 2026-02-10T11:41:58,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A 2026-02-10T11:41:58,735 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 2026-02-10T11:41:58,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B 2026-02-10T11:41:58,739 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 2026-02-10T11:41:58,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B 2026-02-10T11:41:58,742 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 2026-02-10T11:41:58,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A 2026-02-10T11:41:58,745 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 2026-02-10T11:41:58,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B 2026-02-10T11:41:58,749 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 2026-02-10T11:41:58,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A 2026-02-10T11:41:58,752 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 2026-02-10T11:41:58,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B 2026-02-10T11:41:58,755 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 2026-02-10T11:41:58,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A 2026-02-10T11:41:58,759 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 2026-02-10T11:41:58,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44 2026-02-10T11:41:58,762 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 2026-02-10T11:41:58,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A 2026-02-10T11:41:58,765 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 2026-02-10T11:41:58,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B 2026-02-10T11:41:58,768 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 2026-02-10T11:41:58,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A 2026-02-10T11:41:58,772 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 2026-02-10T11:41:58,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25 2026-02-10T11:41:58,775 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 2026-02-10T11:41:58,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30 2026-02-10T11:41:58,778 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 2026-02-10T11:41:58,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54 2026-02-10T11:41:58,782 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 2026-02-10T11:41:58,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B 2026-02-10T11:41:58,785 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 2026-02-10T11:41:58,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B 2026-02-10T11:41:58,789 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 2026-02-10T11:41:58,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A 2026-02-10T11:41:58,792 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 2026-02-10T11:41:58,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B 2026-02-10T11:41:58,795 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 2026-02-10T11:41:58,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B 2026-02-10T11:41:58,799 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 2026-02-10T11:41:58,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B 2026-02-10T11:41:58,802 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 2026-02-10T11:41:58,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A 2026-02-10T11:41:58,805 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 2026-02-10T11:41:58,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B 2026-02-10T11:41:58,808 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 2026-02-10T11:41:58,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53 2026-02-10T11:41:58,812 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 2026-02-10T11:41:58,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B 2026-02-10T11:41:58,815 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 2026-02-10T11:41:58,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B 2026-02-10T11:41:58,819 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 2026-02-10T11:41:58,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B 2026-02-10T11:41:58,822 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 2026-02-10T11:41:58,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43 2026-02-10T11:41:58,825 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 2026-02-10T11:41:58,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57 2026-02-10T11:41:58,829 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 2026-02-10T11:41:58,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B 2026-02-10T11:41:58,832 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 2026-02-10T11:41:58,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56 2026-02-10T11:41:58,836 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 2026-02-10T11:41:58,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09 2026-02-10T11:41:58,839 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 2026-02-10T11:41:58,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37 2026-02-10T11:41:58,842 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 2026-02-10T11:41:58,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22 2026-02-10T11:41:58,846 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 2026-02-10T11:41:58,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A 2026-02-10T11:41:58,849 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 2026-02-10T11:41:58,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A 2026-02-10T11:41:58,853 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 2026-02-10T11:41:58,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A 2026-02-10T11:41:58,856 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 2026-02-10T11:41:58,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A 2026-02-10T11:41:58,860 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 2026-02-10T11:41:58,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23 2026-02-10T11:41:58,863 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 2026-02-10T11:41:58,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B 2026-02-10T11:41:58,867 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 2026-02-10T11:41:58,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A 2026-02-10T11:41:58,870 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 2026-02-10T11:41:58,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A 2026-02-10T11:41:58,873 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 2026-02-10T11:41:58,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A 2026-02-10T11:41:58,877 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 2026-02-10T11:41:58,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A 2026-02-10T11:41:58,880 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 2026-02-10T11:41:58,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A 2026-02-10T11:41:58,883 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 2026-02-10T11:41:58,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B 2026-02-10T11:41:58,887 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 2026-02-10T11:41:58,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A 2026-02-10T11:41:58,890 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 2026-02-10T11:41:58,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10 2026-02-10T11:41:58,893 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 2026-02-10T11:41:58,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47 2026-02-10T11:41:58,897 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 2026-02-10T11:41:58,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06 2026-02-10T11:41:58,901 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 2026-02-10T11:41:58,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28 2026-02-10T11:41:58,905 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 2026-02-10T11:41:58,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B 2026-02-10T11:41:58,908 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 2026-02-10T11:41:58,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26 2026-02-10T11:41:58,912 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 2026-02-10T11:41:58,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A 2026-02-10T11:41:58,915 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 2026-02-10T11:41:58,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A 2026-02-10T11:41:58,919 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 2026-02-10T11:41:58,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A 2026-02-10T11:41:58,922 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 2026-02-10T11:41:58,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40 2026-02-10T11:41:58,926 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 2026-02-10T11:41:58,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50 2026-02-10T11:41:58,930 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 2026-02-10T11:41:58,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A 2026-02-10T11:41:58,933 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 2026-02-10T11:41:58,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B 2026-02-10T11:41:58,936 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 2026-02-10T11:41:58,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51 2026-02-10T11:41:58,940 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 2026-02-10T11:41:58,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B 2026-02-10T11:41:58,943 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 2026-02-10T11:41:58,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11 2026-02-10T11:41:58,947 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 2026-02-10T11:41:58,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32 2026-02-10T11:41:58,951 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 2026-02-10T11:41:58,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B 2026-02-10T11:41:58,954 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 2026-02-10T11:41:58,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A 2026-02-10T11:41:58,958 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 2026-02-10T11:41:58,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B 2026-02-10T11:41:58,961 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 2026-02-10T11:41:58,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A 2026-02-10T11:41:58,965 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 2026-02-10T11:41:58,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24 2026-02-10T11:41:58,968 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 2026-02-10T11:41:58,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A 2026-02-10T11:41:58,972 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 2026-02-10T11:41:58,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15 2026-02-10T11:41:58,975 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 2026-02-10T11:41:58,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B 2026-02-10T11:41:58,979 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 2026-02-10T11:41:58,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B 2026-02-10T11:41:58,982 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 2026-02-10T11:41:58,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B 2026-02-10T11:41:58,986 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 2026-02-10T11:41:58,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03 2026-02-10T11:41:58,989 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 2026-02-10T11:41:58,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A 2026-02-10T11:41:58,993 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 2026-02-10T11:41:58,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17 2026-02-10T11:41:58,996 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 2026-02-10T11:41:58,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B 2026-02-10T11:41:59,000 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 2026-02-10T11:41:59,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B 2026-02-10T11:41:59,004 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 2026-02-10T11:41:59,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21 2026-02-10T11:41:59,008 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 2026-02-10T11:41:59,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A 2026-02-10T11:41:59,011 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 2026-02-10T11:41:59,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A 2026-02-10T11:41:59,015 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 2026-02-10T11:41:59,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B 2026-02-10T11:41:59,018 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 2026-02-10T11:41:59,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B 2026-02-10T11:41:59,022 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 2026-02-10T11:41:59,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B 2026-02-10T11:41:59,026 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 2026-02-10T11:41:59,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60 2026-02-10T11:41:59,030 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 2026-02-10T11:41:59,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A 2026-02-10T11:41:59,034 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 2026-02-10T11:41:59,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52 2026-02-10T11:41:59,037 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 2026-02-10T11:41:59,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42 2026-02-10T11:41:59,041 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 2026-02-10T11:41:59,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A 2026-02-10T11:41:59,044 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 2026-02-10T11:41:59,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39 2026-02-10T11:41:59,048 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 2026-02-10T11:41:59,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35 2026-02-10T11:41:59,051 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 2026-02-10T11:41:59,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B 2026-02-10T11:41:59,056 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 2026-02-10T11:41:59,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14 2026-02-10T11:41:59,059 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 2026-02-10T11:41:59,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B 2026-02-10T11:41:59,062 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 2026-02-10T11:41:59,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B 2026-02-10T11:41:59,066 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 2026-02-10T11:41:59,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19 2026-02-10T11:41:59,069 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 2026-02-10T11:41:59,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33 2026-02-10T11:41:59,072 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 2026-02-10T11:41:59,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A 2026-02-10T11:41:59,076 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 2026-02-10T11:41:59,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B 2026-02-10T11:41:59,079 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 2026-02-10T11:41:59,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B 2026-02-10T11:41:59,083 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 2026-02-10T11:41:59,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65 2026-02-10T11:41:59,086 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 2026-02-10T11:41:59,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58 2026-02-10T11:41:59,090 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 2026-02-10T11:41:59,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29 2026-02-10T11:41:59,093 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 2026-02-10T11:41:59,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A 2026-02-10T11:41:59,097 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 2026-02-10T11:41:59,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B 2026-02-10T11:41:59,101 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 2026-02-10T11:41:59,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A 2026-02-10T11:41:59,104 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 2026-02-10T11:41:59,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B 2026-02-10T11:41:59,107 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 2026-02-10T11:41:59,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A 2026-02-10T11:41:59,111 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 2026-02-10T11:41:59,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31 2026-02-10T11:41:59,114 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 2026-02-10T11:41:59,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16 2026-02-10T11:41:59,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228 2026-02-10T11:41:59,120 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 2026-02-10T11:41:59,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A 2026-02-10T11:41:59,123 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 2026-02-10T11:41:59,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A 2026-02-10T11:41:59,126 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 2026-02-10T11:41:59,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A 2026-02-10T11:41:59,130 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 2026-02-10T11:41:59,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231 2026-02-10T11:41:59,133 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 2026-02-10T11:41:59,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214 2026-02-10T11:41:59,136 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 2026-02-10T11:41:59,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212 2026-02-10T11:41:59,140 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 2026-02-10T11:41:59,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230 2026-02-10T11:41:59,144 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 2026-02-10T11:41:59,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B 2026-02-10T11:41:59,147 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 2026-02-10T11:41:59,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187 2026-02-10T11:41:59,150 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 2026-02-10T11:41:59,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147 2026-02-10T11:41:59,154 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 2026-02-10T11:41:59,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213 2026-02-10T11:41:59,157 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 2026-02-10T11:41:59,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B 2026-02-10T11:41:59,160 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 2026-02-10T11:41:59,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A 2026-02-10T11:41:59,164 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 2026-02-10T11:41:59,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A 2026-02-10T11:41:59,167 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 2026-02-10T11:41:59,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A 2026-02-10T11:41:59,170 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 2026-02-10T11:41:59,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B 2026-02-10T11:41:59,174 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 2026-02-10T11:41:59,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A 2026-02-10T11:41:59,177 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 2026-02-10T11:41:59,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A 2026-02-10T11:41:59,181 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 2026-02-10T11:41:59,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148 2026-02-10T11:41:59,185 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 2026-02-10T11:41:59,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150 2026-02-10T11:41:59,188 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 2026-02-10T11:41:59,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229 2026-02-10T11:41:59,192 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 2026-02-10T11:41:59,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B 2026-02-10T11:41:59,195 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 2026-02-10T11:41:59,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B 2026-02-10T11:41:59,199 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 2026-02-10T11:41:59,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B 2026-02-10T11:41:59,202 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 2026-02-10T11:41:59,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A 2026-02-10T11:41:59,207 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 2026-02-10T11:41:59,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008 2026-02-10T11:41:59,210 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 2026-02-10T11:41:59,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B 2026-02-10T11:41:59,214 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 2026-02-10T11:41:59,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202 2026-02-10T11:41:59,217 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 2026-02-10T11:41:59,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B 2026-02-10T11:41:59,221 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 2026-02-10T11:41:59,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152 2026-02-10T11:41:59,224 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 2026-02-10T11:41:59,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A 2026-02-10T11:41:59,228 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 2026-02-10T11:41:59,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B 2026-02-10T11:41:59,231 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 2026-02-10T11:41:59,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227 2026-02-10T11:41:59,235 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 2026-02-10T11:41:59,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A 2026-02-10T11:41:59,238 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 2026-02-10T11:41:59,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A 2026-02-10T11:41:59,241 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 2026-02-10T11:41:59,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B 2026-02-10T11:41:59,245 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 2026-02-10T11:41:59,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B 2026-02-10T11:41:59,248 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 2026-02-10T11:41:59,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A 2026-02-10T11:41:59,252 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 2026-02-10T11:41:59,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B 2026-02-10T11:41:59,256 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 2026-02-10T11:41:59,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144 2026-02-10T11:41:59,259 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 2026-02-10T11:41:59,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B 2026-02-10T11:41:59,263 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 2026-02-10T11:41:59,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B 2026-02-10T11:41:59,267 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 2026-02-10T11:41:59,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A 2026-02-10T11:41:59,271 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 2026-02-10T11:41:59,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A 2026-02-10T11:41:59,274 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 2026-02-10T11:41:59,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B 2026-02-10T11:41:59,278 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 2026-02-10T11:41:59,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A 2026-02-10T11:41:59,281 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 2026-02-10T11:41:59,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B 2026-02-10T11:41:59,284 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 2026-02-10T11:41:59,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27 2026-02-10T11:41:59,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5 2026-02-10T11:41:59,290 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 2026-02-10T11:41:59,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:41:59,293 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 2026-02-10T11:41:59,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:41:59,297 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 2026-02-10T11:41:59,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:41:59,300 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 2026-02-10T11:41:59,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op 2026-02-10T11:41:59,303 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 2026-02-10T11:41:59,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:41:59,307 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 2026-02-10T11:41:59,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:41:59,311 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 2026-02-10T11:41:59,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm 2026-02-10T11:41:59,315 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 2026-02-10T11:41:59,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:41:59,318 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 2026-02-10T11:41:59,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c 2026-02-10T11:41:59,322 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 2026-02-10T11:41:59,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:41:59,325 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 2026-02-10T11:41:59,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:41:59,329 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 2026-02-10T11:41:59,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:41:59,332 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 2026-02-10T11:41:59,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O 2026-02-10T11:41:59,336 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 2026-02-10T11:41:59,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:41:59,339 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 2026-02-10T11:41:59,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:41:59,343 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 2026-02-10T11:41:59,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es 2026-02-10T11:41:59,346 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 2026-02-10T11:41:59,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:41:59,350 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 2026-02-10T11:41:59,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:41:59,353 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 2026-02-10T11:41:59,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:41:59,357 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 2026-02-10T11:41:59,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b 2026-02-10T11:41:59,361 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 2026-02-10T11:41:59,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4 2026-02-10T11:41:59,365 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 2026-02-10T11:41:59,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:41:59,368 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 2026-02-10T11:41:59,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3 2026-02-10T11:41:59,371 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 2026-02-10T11:41:59,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6 2026-02-10T11:41:59,375 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 2026-02-10T11:41:59,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:41:59,378 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 2026-02-10T11:41:59,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20 2026-02-10T11:41:59,382 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 2026-02-10T11:41:59,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:41:59,386 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 2026-02-10T11:41:59,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2 2026-02-10T11:41:59,389 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 2026-02-10T11:41:59,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:41:59,392 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 2026-02-10T11:41:59,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA 2026-02-10T11:41:59,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18 2026-02-10T11:41:59,398 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 2026-02-10T11:41:59,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n 2026-02-10T11:41:59,402 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 2026-02-10T11:41:59,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o 2026-02-10T11:41:59,406 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 2026-02-10T11:41:59,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24 2026-02-10T11:41:59,409 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 2026-02-10T11:41:59,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si- 2026-02-10T11:41:59,412 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- 2026-02-10T11:41:59,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15 2026-02-10T11:41:59,415 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 2026-02-10T11:41:59,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n 2026-02-10T11:41:59,419 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 2026-02-10T11:41:59,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21 2026-02-10T11:41:59,422 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 2026-02-10T11:41:59,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17 2026-02-10T11:41:59,426 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 2026-02-10T11:41:59,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n 2026-02-10T11:41:59,429 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 2026-02-10T11:41:59,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p- 2026-02-10T11:41:59,433 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- 2026-02-10T11:41:59,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13 2026-02-10T11:41:59,436 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 2026-02-10T11:41:59,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n 2026-02-10T11:41:59,440 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 2026-02-10T11:41:59,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n 2026-02-10T11:41:59,443 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 2026-02-10T11:41:59,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n 2026-02-10T11:41:59,447 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 2026-02-10T11:41:59,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22 2026-02-10T11:41:59,450 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 2026-02-10T11:41:59,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n 2026-02-10T11:41:59,454 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 2026-02-10T11:41:59,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14 2026-02-10T11:41:59,457 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 2026-02-10T11:41:59,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f 2026-02-10T11:41:59,460 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 2026-02-10T11:41:59,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n 2026-02-10T11:41:59,464 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 2026-02-10T11:41:59,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n 2026-02-10T11:41:59,467 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 2026-02-10T11:41:59,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n 2026-02-10T11:41:59,470 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 2026-02-10T11:41:59,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8 2026-02-10T11:41:59,474 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 2026-02-10T11:41:59,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11 2026-02-10T11:41:59,477 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 2026-02-10T11:41:59,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20 2026-02-10T11:41:59,481 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 2026-02-10T11:41:59,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23 2026-02-10T11:41:59,484 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 2026-02-10T11:41:59,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si 2026-02-10T11:41:59,488 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 2026-02-10T11:41:59,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25 2026-02-10T11:41:59,492 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 2026-02-10T11:41:59,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n 2026-02-10T11:41:59,495 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 2026-02-10T11:41:59,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9 2026-02-10T11:41:59,498 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 2026-02-10T11:41:59,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s 2026-02-10T11:41:59,502 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 2026-02-10T11:41:59,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12 2026-02-10T11:41:59,505 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 2026-02-10T11:41:59,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n 2026-02-10T11:41:59,509 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 2026-02-10T11:41:59,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c 2026-02-10T11:41:59,512 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 2026-02-10T11:41:59,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n 2026-02-10T11:41:59,515 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 2026-02-10T11:41:59,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n 2026-02-10T11:41:59,519 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 2026-02-10T11:41:59,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl 2026-02-10T11:41:59,522 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 2026-02-10T11:41:59,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19 2026-02-10T11:41:59,526 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 2026-02-10T11:41:59,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n 2026-02-10T11:41:59,529 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 2026-02-10T11:41:59,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10 2026-02-10T11:41:59,533 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 2026-02-10T11:41:59,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:41:59,536 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- 2026-02-10T11:41:59,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16 2026-02-10T11:41:59,539 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 2026-02-10T11:41:59,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p 2026-02-10T11:41:59,543 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 2026-02-10T11:41:59,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c- 2026-02-10T11:41:59,547 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- 2026-02-10T11:41:59,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f- 2026-02-10T11:41:59,550 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- 2026-02-10T11:41:59,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n 2026-02-10T11:41:59,553 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 2026-02-10T11:41:59,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n 2026-02-10T11:41:59,557 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 2026-02-10T11:41:59,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o- 2026-02-10T11:41:59,560 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- 2026-02-10T11:41:59,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n 2026-02-10T11:41:59,563 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 2026-02-10T11:41:59,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s- 2026-02-10T11:41:59,567 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- 2026-02-10T11:41:59,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22 2026-02-10T11:41:59,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b 2026-02-10T11:41:59,572 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 2026-02-10T11:41:59,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b 2026-02-10T11:41:59,576 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 2026-02-10T11:41:59,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a 2026-02-10T11:41:59,579 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 2026-02-10T11:41:59,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07 2026-02-10T11:41:59,582 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 2026-02-10T11:41:59,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b 2026-02-10T11:41:59,586 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 2026-02-10T11:41:59,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a 2026-02-10T11:41:59,589 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 2026-02-10T11:41:59,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b 2026-02-10T11:41:59,593 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 2026-02-10T11:41:59,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02 2026-02-10T11:41:59,596 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 2026-02-10T11:41:59,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12 2026-02-10T11:41:59,599 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 2026-02-10T11:41:59,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b 2026-02-10T11:41:59,603 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 2026-02-10T11:41:59,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a 2026-02-10T11:41:59,606 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 2026-02-10T11:41:59,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a 2026-02-10T11:41:59,610 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 2026-02-10T11:41:59,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b 2026-02-10T11:41:59,613 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 2026-02-10T11:41:59,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b 2026-02-10T11:41:59,616 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 2026-02-10T11:41:59,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18 2026-02-10T11:41:59,620 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 2026-02-10T11:41:59,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13 2026-02-10T11:41:59,623 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 2026-02-10T11:41:59,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a 2026-02-10T11:41:59,627 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 2026-02-10T11:41:59,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a 2026-02-10T11:41:59,630 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 2026-02-10T11:41:59,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a 2026-02-10T11:41:59,633 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 2026-02-10T11:41:59,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b 2026-02-10T11:41:59,637 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 2026-02-10T11:41:59,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05 2026-02-10T11:41:59,640 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 2026-02-10T11:41:59,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20 2026-02-10T11:41:59,644 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 2026-02-10T11:41:59,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01 2026-02-10T11:41:59,647 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 2026-02-10T11:41:59,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a 2026-02-10T11:41:59,651 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 2026-02-10T11:41:59,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a 2026-02-10T11:41:59,654 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 2026-02-10T11:41:59,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b 2026-02-10T11:41:59,657 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 2026-02-10T11:41:59,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b 2026-02-10T11:41:59,661 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 2026-02-10T11:41:59,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a 2026-02-10T11:41:59,664 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 2026-02-10T11:41:59,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08 2026-02-10T11:41:59,667 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 2026-02-10T11:41:59,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b 2026-02-10T11:41:59,671 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 2026-02-10T11:41:59,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a 2026-02-10T11:41:59,674 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 2026-02-10T11:41:59,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04 2026-02-10T11:41:59,677 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 2026-02-10T11:41:59,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16 2026-02-10T11:41:59,681 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 2026-02-10T11:41:59,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a 2026-02-10T11:41:59,684 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 2026-02-10T11:41:59,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b 2026-02-10T11:41:59,687 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 2026-02-10T11:41:59,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a 2026-02-10T11:41:59,691 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 2026-02-10T11:41:59,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a 2026-02-10T11:41:59,694 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 2026-02-10T11:41:59,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09 2026-02-10T11:41:59,698 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 2026-02-10T11:41:59,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22 2026-02-10T11:41:59,701 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 2026-02-10T11:41:59,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10 2026-02-10T11:41:59,705 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 2026-02-10T11:41:59,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06 2026-02-10T11:41:59,708 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 2026-02-10T11:41:59,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a 2026-02-10T11:41:59,711 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 2026-02-10T11:41:59,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a 2026-02-10T11:41:59,714 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 2026-02-10T11:41:59,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a 2026-02-10T11:41:59,718 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 2026-02-10T11:41:59,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a 2026-02-10T11:41:59,721 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 2026-02-10T11:41:59,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b 2026-02-10T11:41:59,724 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 2026-02-10T11:41:59,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11 2026-02-10T11:41:59,728 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 2026-02-10T11:41:59,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15 2026-02-10T11:41:59,731 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 2026-02-10T11:41:59,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03 2026-02-10T11:41:59,735 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 2026-02-10T11:41:59,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17 2026-02-10T11:41:59,738 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 2026-02-10T11:41:59,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a 2026-02-10T11:41:59,741 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 2026-02-10T11:41:59,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21 2026-02-10T11:41:59,745 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 2026-02-10T11:41:59,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a 2026-02-10T11:41:59,748 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 2026-02-10T11:41:59,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a 2026-02-10T11:41:59,751 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 2026-02-10T11:41:59,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a 2026-02-10T11:41:59,755 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 2026-02-10T11:41:59,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14 2026-02-10T11:41:59,758 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 2026-02-10T11:41:59,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19 2026-02-10T11:41:59,761 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 2026-02-10T11:41:59,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4 2026-02-10T11:41:59,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:41:59,767 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 2026-02-10T11:41:59,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:41:59,770 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 2026-02-10T11:41:59,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:41:59,773 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 2026-02-10T11:41:59,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he 2026-02-10T11:41:59,777 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 2026-02-10T11:41:59,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:41:59,780 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 2026-02-10T11:41:59,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3 2026-02-10T11:41:59,783 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 2026-02-10T11:41:59,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:41:59,787 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 2026-02-10T11:41:59,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:41:59,790 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 2026-02-10T11:41:59,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:41:59,793 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 2026-02-10T11:41:59,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:41:59,796 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 2026-02-10T11:41:59,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:41:59,800 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 2026-02-10T11:41:59,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:41:59,803 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+ 2026-02-10T11:41:59,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:41:59,807 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 2026-02-10T11:41:59,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h 2026-02-10T11:41:59,810 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 2026-02-10T11:41:59,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o 2026-02-10T11:41:59,813 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 2026-02-10T11:41:59,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:41:59,817 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+ 2026-02-10T11:41:59,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:41:59,820 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 2026-02-10T11:41:59,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:41:59,823 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 2026-02-10T11:41:59,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:41:59,827 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 2026-02-10T11:41:59,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:41:59,830 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 2026-02-10T11:41:59,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:41:59,833 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 2026-02-10T11:41:59,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+ 2026-02-10T11:41:59,837 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+ 2026-02-10T11:41:59,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:41:59,840 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 2026-02-10T11:41:59,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC 2026-02-10T11:41:59,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9 2026-02-10T11:41:59,845 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 2026-02-10T11:41:59,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3 2026-02-10T11:41:59,848 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 2026-02-10T11:41:59,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4 2026-02-10T11:41:59,852 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 2026-02-10T11:41:59,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6 2026-02-10T11:41:59,855 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 2026-02-10T11:41:59,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X 2026-02-10T11:41:59,859 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 2026-02-10T11:41:59,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10 2026-02-10T11:41:59,862 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 2026-02-10T11:41:59,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein 2026-02-10T11:41:59,866 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 2026-02-10T11:41:59,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X 2026-02-10T11:41:59,869 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 2026-02-10T11:41:59,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X 2026-02-10T11:41:59,873 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 2026-02-10T11:41:59,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7 2026-02-10T11:41:59,876 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 2026-02-10T11:41:59,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene 2026-02-10T11:41:59,880 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 2026-02-10T11:41:59,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1 2026-02-10T11:41:59,883 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 2026-02-10T11:41:59,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2 2026-02-10T11:41:59,887 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 2026-02-10T11:41:59,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X 2026-02-10T11:41:59,890 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 2026-02-10T11:41:59,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH 2026-02-10T11:41:59,894 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 2026-02-10T11:41:59,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5 2026-02-10T11:41:59,897 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 2026-02-10T11:41:59,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene 2026-02-10T11:41:59,901 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 2026-02-10T11:41:59,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine 2026-02-10T11:41:59,904 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 2026-02-10T11:41:59,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8 2026-02-10T11:41:59,908 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 2026-02-10T11:41:59,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane 2026-02-10T11:41:59,911 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 2026-02-10T11:41:59,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene 2026-02-10T11:41:59,918 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 2026-02-10T11:41:59,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene 2026-02-10T11:41:59,922 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 2026-02-10T11:41:59,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24 2026-02-10T11:41:59,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e 2026-02-10T11:41:59,927 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 2026-02-10T11:41:59,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e 2026-02-10T11:41:59,930 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 2026-02-10T11:41:59,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e 2026-02-10T11:41:59,934 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 2026-02-10T11:41:59,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p 2026-02-10T11:41:59,938 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 2026-02-10T11:41:59,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e 2026-02-10T11:41:59,941 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 2026-02-10T11:41:59,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p 2026-02-10T11:41:59,945 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 2026-02-10T11:41:59,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e 2026-02-10T11:41:59,949 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 2026-02-10T11:41:59,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e 2026-02-10T11:41:59,953 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 2026-02-10T11:41:59,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p 2026-02-10T11:41:59,956 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 2026-02-10T11:41:59,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e 2026-02-10T11:41:59,960 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 2026-02-10T11:41:59,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e 2026-02-10T11:41:59,963 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 2026-02-10T11:41:59,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e 2026-02-10T11:41:59,967 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 2026-02-10T11:41:59,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p 2026-02-10T11:41:59,971 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 2026-02-10T11:41:59,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p 2026-02-10T11:41:59,974 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 2026-02-10T11:41:59,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p 2026-02-10T11:41:59,977 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 2026-02-10T11:41:59,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p 2026-02-10T11:41:59,981 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 2026-02-10T11:41:59,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p 2026-02-10T11:41:59,984 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 2026-02-10T11:41:59,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p 2026-02-10T11:41:59,988 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 2026-02-10T11:41:59,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p 2026-02-10T11:41:59,991 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 2026-02-10T11:41:59,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p 2026-02-10T11:41:59,995 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 2026-02-10T11:41:59,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e 2026-02-10T11:41:59,998 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 2026-02-10T11:42:00,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e 2026-02-10T11:42:00,002 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 2026-02-10T11:42:00,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e 2026-02-10T11:42:00,005 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 2026-02-10T11:42:00,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e 2026-02-10T11:42:00,009 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 2026-02-10T11:42:00,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p 2026-02-10T11:42:00,013 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 2026-02-10T11:42:00,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e 2026-02-10T11:42:00,016 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 2026-02-10T11:42:00,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p 2026-02-10T11:42:00,020 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 2026-02-10T11:42:00,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p 2026-02-10T11:42:00,023 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 2026-02-10T11:42:00,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e 2026-02-10T11:42:00,027 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 2026-02-10T11:42:00,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p 2026-02-10T11:42:00,030 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 2026-02-10T11:42:00,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e 2026-02-10T11:42:00,034 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 2026-02-10T11:42:00,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e 2026-02-10T11:42:00,038 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 2026-02-10T11:42:00,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e 2026-02-10T11:42:00,041 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 2026-02-10T11:42:00,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p 2026-02-10T11:42:00,045 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 2026-02-10T11:42:00,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e 2026-02-10T11:42:00,049 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 2026-02-10T11:42:00,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p 2026-02-10T11:42:00,052 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 2026-02-10T11:42:00,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p 2026-02-10T11:42:00,056 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 2026-02-10T11:42:00,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p 2026-02-10T11:42:00,059 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 2026-02-10T11:42:00,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p 2026-02-10T11:42:00,063 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 2026-02-10T11:42:00,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e 2026-02-10T11:42:00,067 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 2026-02-10T11:42:00,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p 2026-02-10T11:42:00,070 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 2026-02-10T11:42:00,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p 2026-02-10T11:42:00,074 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 2026-02-10T11:42:00,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e 2026-02-10T11:42:00,077 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 2026-02-10T11:42:00,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e 2026-02-10T11:42:00,081 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 2026-02-10T11:42:00,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p 2026-02-10T11:42:00,085 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 2026-02-10T11:42:00,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e 2026-02-10T11:42:00,088 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 2026-02-10T11:42:00,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e 2026-02-10T11:42:00,092 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 2026-02-10T11:42:00,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p 2026-02-10T11:42:00,096 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 2026-02-10T11:42:00,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26 2026-02-10T11:42:00,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh 2026-02-10T11:42:00,102 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 2026-02-10T11:42:00,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4 2026-02-10T11:42:00,105 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 2026-02-10T11:42:00,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A 2026-02-10T11:42:00,108 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 2026-02-10T11:42:00,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p 2026-02-10T11:42:00,112 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 2026-02-10T11:42:00,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p 2026-02-10T11:42:00,115 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 2026-02-10T11:42:00,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s 2026-02-10T11:42:00,119 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 2026-02-10T11:42:00,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3 2026-02-10T11:42:00,122 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 2026-02-10T11:42:00,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp 2026-02-10T11:42:00,126 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 2026-02-10T11:42:00,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G 2026-02-10T11:42:00,129 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 2026-02-10T11:42:00,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol 2026-02-10T11:42:00,132 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 2026-02-10T11:42:00,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp 2026-02-10T11:42:00,136 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 2026-02-10T11:42:00,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6 2026-02-10T11:42:00,139 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 2026-02-10T11:42:00,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2 2026-02-10T11:42:00,142 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 2026-02-10T11:42:00,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp 2026-02-10T11:42:00,146 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 2026-02-10T11:42:00,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4 2026-02-10T11:42:00,149 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 2026-02-10T11:42:00,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp 2026-02-10T11:42:00,152 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 2026-02-10T11:42:00,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p 2026-02-10T11:42:00,156 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 2026-02-10T11:42:00,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp 2026-02-10T11:42:00,159 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 2026-02-10T11:42:00,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly 2026-02-10T11:42:00,163 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 2026-02-10T11:42:00,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp 2026-02-10T11:42:00,166 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 2026-02-10T11:42:00,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp 2026-02-10T11:42:00,170 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 2026-02-10T11:42:00,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol 2026-02-10T11:42:00,173 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 2026-02-10T11:42:00,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p 2026-02-10T11:42:00,177 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 2026-02-10T11:42:00,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p 2026-02-10T11:42:00,180 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 2026-02-10T11:42:00,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap 2026-02-10T11:42:00,184 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 2026-02-10T11:42:00,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp 2026-02-10T11:42:00,188 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 2026-02-10T11:42:00,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp 2026-02-10T11:42:00,191 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 2026-02-10T11:42:00,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3 2026-02-10T11:42:00,194 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 2026-02-10T11:42:00,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o 2026-02-10T11:42:00,197 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 2026-02-10T11:42:00,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6 2026-02-10T11:42:00,200 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 2026-02-10T11:42:00,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:42:00,204 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 2026-02-10T11:42:00,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p 2026-02-10T11:42:00,207 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 2026-02-10T11:42:00,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p 2026-02-10T11:42:00,210 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 2026-02-10T11:42:00,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p 2026-02-10T11:42:00,213 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 2026-02-10T11:42:00,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8 2026-02-10T11:42:00,217 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 2026-02-10T11:42:00,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys 2026-02-10T11:42:00,220 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 2026-02-10T11:42:00,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s 2026-02-10T11:42:00,224 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 2026-02-10T11:42:00,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p 2026-02-10T11:42:00,227 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 2026-02-10T11:42:00,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C 2026-02-10T11:42:00,231 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 2026-02-10T11:42:00,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:42:00,234 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 2026-02-10T11:42:00,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass 2026-02-10T11:42:00,237 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 2026-02-10T11:42:00,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2 2026-02-10T11:42:00,240 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 2026-02-10T11:42:00,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T 2026-02-10T11:42:00,244 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 2026-02-10T11:42:00,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp 2026-02-10T11:42:00,247 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 2026-02-10T11:42:00,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op 2026-02-10T11:42:00,250 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 2026-02-10T11:42:00,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp 2026-02-10T11:42:00,254 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 2026-02-10T11:42:00,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6 2026-02-10T11:42:00,257 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 2026-02-10T11:42:00,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p 2026-02-10T11:42:00,260 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 2026-02-10T11:42:00,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p 2026-02-10T11:42:00,264 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 2026-02-10T11:42:00,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl 2026-02-10T11:42:00,267 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 2026-02-10T11:42:00,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp 2026-02-10T11:42:00,271 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 2026-02-10T11:42:00,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2 2026-02-10T11:42:00,274 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 2026-02-10T11:42:00,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13 2026-02-10T11:42:00,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2 2026-02-10T11:42:00,279 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 2026-02-10T11:42:00,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2 2026-02-10T11:42:00,282 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 2026-02-10T11:42:00,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4 2026-02-10T11:42:00,285 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 2026-02-10T11:42:00,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2 2026-02-10T11:42:00,288 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 2026-02-10T11:42:00,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2 2026-02-10T11:42:00,292 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 2026-02-10T11:42:00,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6 2026-02-10T11:42:00,295 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 2026-02-10T11:42:00,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1 2026-02-10T11:42:00,299 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 2026-02-10T11:42:00,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene 2026-02-10T11:42:00,302 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 2026-02-10T11:42:00,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:42:00,305 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 2026-02-10T11:42:00,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen 2026-02-10T11:42:00,309 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 2026-02-10T11:42:00,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:42:00,312 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 2026-02-10T11:42:00,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:42:00,316 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 2026-02-10T11:42:00,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be 2026-02-10T11:42:00,319 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 2026-02-10T11:42:00,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35 2026-02-10T11:42:00,322 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 2026-02-10T11:42:00,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8 2026-02-10T11:42:00,327 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 2026-02-10T11:42:00,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb 2026-02-10T11:42:00,331 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 2026-02-10T11:42:00,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip 2026-02-10T11:42:00,335 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 2026-02-10T11:42:00,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage 2026-02-10T11:42:00,338 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 2026-02-10T11:42:00,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2 2026-02-10T11:42:00,341 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 2026-02-10T11:42:00,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3 2026-02-10T11:42:00,345 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 2026-02-10T11:42:00,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:42:00,349 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 2026-02-10T11:42:00,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl 2026-02-10T11:42:00,352 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 2026-02-10T11:42:00,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne 2026-02-10T11:42:00,357 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 2026-02-10T11:42:00,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35 2026-02-10T11:42:00,361 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 2026-02-10T11:42:00,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6 2026-02-10T11:42:00,364 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 2026-02-10T11:42:00,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36 2026-02-10T11:42:00,367 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 2026-02-10T11:42:00,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4 2026-02-10T11:42:00,371 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 2026-02-10T11:42:00,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36 2026-02-10T11:42:00,374 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 2026-02-10T11:42:00,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen 2026-02-10T11:42:00,377 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 2026-02-10T11:42:00,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL 2026-02-10T11:42:00,381 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 2026-02-10T11:42:00,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21 2026-02-10T11:42:00,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:42:00,386 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 2026-02-10T11:42:00,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:42:00,390 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 2026-02-10T11:42:00,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99 2026-02-10T11:42:00,394 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 2026-02-10T11:42:00,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215 2026-02-10T11:42:00,397 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 2026-02-10T11:42:00,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:42:00,401 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 2026-02-10T11:42:00,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357 2026-02-10T11:42:00,404 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 2026-02-10T11:42:00,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470 2026-02-10T11:42:00,408 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 2026-02-10T11:42:00,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:42:00,413 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 2026-02-10T11:42:00,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b 2026-02-10T11:42:00,416 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 2026-02-10T11:42:00,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224 2026-02-10T11:42:00,420 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 2026-02-10T11:42:00,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:42:00,424 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 2026-02-10T11:42:00,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114 2026-02-10T11:42:00,428 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 2026-02-10T11:42:00,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691 2026-02-10T11:42:00,431 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 2026-02-10T11:42:00,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300 2026-02-10T11:42:00,435 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 2026-02-10T11:42:00,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:42:00,438 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 2026-02-10T11:42:00,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366 2026-02-10T11:42:00,442 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 2026-02-10T11:42:00,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:42:00,446 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 2026-02-10T11:42:00,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:42:00,449 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 2026-02-10T11:42:00,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444 2026-02-10T11:42:00,452 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 2026-02-10T11:42:00,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412 2026-02-10T11:42:00,456 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 2026-02-10T11:42:00,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:42:00,460 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 2026-02-10T11:42:00,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59 2026-02-10T11:42:00,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:42:00,466 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 2026-02-10T11:42:00,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:42:00,470 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 2026-02-10T11:42:00,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:42:00,473 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 2026-02-10T11:42:00,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:42:00,477 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 2026-02-10T11:42:00,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:42:00,480 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 2026-02-10T11:42:00,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:42:00,483 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 2026-02-10T11:42:00,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:42:00,487 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 2026-02-10T11:42:00,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:42:00,490 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 2026-02-10T11:42:00,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI 2026-02-10T11:42:00,493 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 2026-02-10T11:42:00,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:42:00,497 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 2026-02-10T11:42:00,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:42:00,500 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 2026-02-10T11:42:00,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe 2026-02-10T11:42:00,504 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 2026-02-10T11:42:00,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:42:00,507 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 2026-02-10T11:42:00,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr 2026-02-10T11:42:00,510 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 2026-02-10T11:42:00,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:42:00,514 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 2026-02-10T11:42:00,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI 2026-02-10T11:42:00,517 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 2026-02-10T11:42:00,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:42:00,521 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 2026-02-10T11:42:00,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:42:00,524 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:42:00,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:42:00,528 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 2026-02-10T11:42:00,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:42:00,532 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 2026-02-10T11:42:00,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:42:00,535 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 2026-02-10T11:42:00,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:42:00,539 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 2026-02-10T11:42:00,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:42:00,542 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 2026-02-10T11:42:00,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:42:00,546 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 2026-02-10T11:42:00,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:42:00,549 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 2026-02-10T11:42:00,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:42:00,553 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 2026-02-10T11:42:00,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:42:00,556 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 2026-02-10T11:42:00,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:42:00,559 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 2026-02-10T11:42:00,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:42:00,563 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 2026-02-10T11:42:00,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI 2026-02-10T11:42:00,566 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 2026-02-10T11:42:00,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:42:00,570 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 2026-02-10T11:42:00,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH 2026-02-10T11:42:00,573 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 2026-02-10T11:42:00,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:42:00,577 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 2026-02-10T11:42:00,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:42:00,580 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 2026-02-10T11:42:00,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:42:00,583 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 2026-02-10T11:42:00,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:42:00,587 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 2026-02-10T11:42:00,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:42:00,590 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 2026-02-10T11:42:00,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:42:00,594 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 2026-02-10T11:42:00,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2 2026-02-10T11:42:00,597 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 2026-02-10T11:42:00,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:42:00,601 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 2026-02-10T11:42:00,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:42:00,604 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 2026-02-10T11:42:00,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:42:00,607 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 2026-02-10T11:42:00,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3 2026-02-10T11:42:00,611 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 2026-02-10T11:42:00,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:42:00,614 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 2026-02-10T11:42:00,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:42:00,617 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 2026-02-10T11:42:00,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:42:00,621 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 2026-02-10T11:42:00,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:42:00,624 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 2026-02-10T11:42:00,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH 2026-02-10T11:42:00,627 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 2026-02-10T11:42:00,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:42:00,631 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 2026-02-10T11:42:00,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:42:00,634 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 2026-02-10T11:42:00,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:42:00,637 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 2026-02-10T11:42:00,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:42:00,642 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 2026-02-10T11:42:00,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:42:00,645 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 2026-02-10T11:42:00,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:42:00,649 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 2026-02-10T11:42:00,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:42:00,652 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 2026-02-10T11:42:00,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:42:00,655 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 2026-02-10T11:42:00,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:42:00,658 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 2026-02-10T11:42:00,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:42:00,662 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 2026-02-10T11:42:00,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:42:00,665 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 2026-02-10T11:42:00,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:42:00,668 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 2026-02-10T11:42:00,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:42:00,672 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 2026-02-10T11:42:00,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:42:00,675 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 2026-02-10T11:42:00,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:42:00,678 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 2026-02-10T11:42:00,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH 2026-02-10T11:42:00,682 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 2026-02-10T11:42:00,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl 2026-02-10T11:42:00,685 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 2026-02-10T11:42:00,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:42:00,689 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 2026-02-10T11:42:00,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:42:00,693 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 2026-02-10T11:42:00,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:42:00,697 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 2026-02-10T11:42:00,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS 2026-02-10T11:42:00,700 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 2026-02-10T11:42:00,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:42:00,703 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 2026-02-10T11:42:00,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:42:00,706 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 2026-02-10T11:42:00,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:42:00,710 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 2026-02-10T11:42:00,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:42:00,713 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 2026-02-10T11:42:00,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:42:00,717 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 2026-02-10T11:42:00,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:42:00,720 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 2026-02-10T11:42:00,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:42:00,724 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 2026-02-10T11:42:00,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:42:00,727 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 2026-02-10T11:42:00,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:42:00,731 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 2026-02-10T11:42:00,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:42:00,734 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 2026-02-10T11:42:00,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:42:00,738 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 2026-02-10T11:42:00,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:42:00,741 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 2026-02-10T11:42:00,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:42:00,744 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 2026-02-10T11:42:00,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr 2026-02-10T11:42:00,747 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 2026-02-10T11:42:00,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:42:00,751 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 2026-02-10T11:42:00,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:42:00,754 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 2026-02-10T11:42:00,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:42:00,757 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 2026-02-10T11:42:00,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:42:00,761 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 2026-02-10T11:42:00,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:42:00,764 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 2026-02-10T11:42:00,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:42:00,768 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 2026-02-10T11:42:00,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:42:00,771 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 2026-02-10T11:42:00,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:42:00,776 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 2026-02-10T11:42:00,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI 2026-02-10T11:42:00,783 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 2026-02-10T11:42:00,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:42:00,795 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 2026-02-10T11:42:00,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:42:00,800 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 2026-02-10T11:42:00,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr 2026-02-10T11:42:00,804 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 2026-02-10T11:42:00,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:42:00,807 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 2026-02-10T11:42:00,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:42:00,810 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 2026-02-10T11:42:00,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr 2026-02-10T11:42:00,814 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 2026-02-10T11:42:00,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:42:00,818 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 2026-02-10T11:42:00,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:42:00,821 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 2026-02-10T11:42:00,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3 2026-02-10T11:42:00,827 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 2026-02-10T11:42:00,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:42:00,836 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 2026-02-10T11:42:00,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS 2026-02-10T11:42:00,840 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 2026-02-10T11:42:00,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:42:00,844 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 2026-02-10T11:42:00,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:42:00,848 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 2026-02-10T11:42:00,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP 2026-02-10T11:42:00,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64 2026-02-10T11:42:00,854 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 2026-02-10T11:42:00,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+ 2026-02-10T11:42:00,857 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+ 2026-02-10T11:42:00,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74 2026-02-10T11:42:00,863 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 2026-02-10T11:42:00,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12 2026-02-10T11:42:00,870 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 2026-02-10T11:42:00,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+ 2026-02-10T11:42:00,873 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+ 2026-02-10T11:42:00,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18 2026-02-10T11:42:00,877 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 2026-02-10T11:42:00,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59 2026-02-10T11:42:00,880 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 2026-02-10T11:42:00,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+ 2026-02-10T11:42:00,883 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+ 2026-02-10T11:42:00,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34 2026-02-10T11:42:00,887 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 2026-02-10T11:42:00,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13 2026-02-10T11:42:00,890 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 2026-02-10T11:42:00,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77 2026-02-10T11:42:00,893 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 2026-02-10T11:42:00,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b 2026-02-10T11:42:00,897 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 2026-02-10T11:42:00,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76 2026-02-10T11:42:00,900 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 2026-02-10T11:42:00,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+ 2026-02-10T11:42:00,903 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+ 2026-02-10T11:42:00,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48 2026-02-10T11:42:00,907 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 2026-02-10T11:42:00,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137 2026-02-10T11:42:00,910 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 2026-02-10T11:42:00,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45 2026-02-10T11:42:00,914 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 2026-02-10T11:42:00,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+ 2026-02-10T11:42:00,917 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+ 2026-02-10T11:42:00,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+ 2026-02-10T11:42:00,921 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+ 2026-02-10T11:42:00,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+ 2026-02-10T11:42:00,924 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+ 2026-02-10T11:42:00,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o 2026-02-10T11:42:00,927 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 2026-02-10T11:42:00,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be 2026-02-10T11:42:00,931 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 2026-02-10T11:42:00,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73 2026-02-10T11:42:00,934 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 2026-02-10T11:42:00,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20 2026-02-10T11:42:00,937 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 2026-02-10T11:42:00,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+ 2026-02-10T11:42:00,941 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+ 2026-02-10T11:42:00,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+ 2026-02-10T11:42:00,945 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+ 2026-02-10T11:42:00,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na 2026-02-10T11:42:00,952 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 2026-02-10T11:42:00,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+ 2026-02-10T11:42:00,956 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+ 2026-02-10T11:42:00,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80 2026-02-10T11:42:00,959 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 2026-02-10T11:42:00,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75 2026-02-10T11:42:00,963 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 2026-02-10T11:42:00,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70 2026-02-10T11:42:00,966 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 2026-02-10T11:42:00,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66 2026-02-10T11:42:00,970 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 2026-02-10T11:42:00,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si 2026-02-10T11:42:00,974 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 2026-02-10T11:42:00,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n 2026-02-10T11:42:00,979 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 2026-02-10T11:42:00,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h 2026-02-10T11:42:00,982 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 2026-02-10T11:42:00,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65 2026-02-10T11:42:00,986 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 2026-02-10T11:42:00,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li 2026-02-10T11:42:00,989 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 2026-02-10T11:42:00,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44 2026-02-10T11:42:00,992 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 2026-02-10T11:42:00,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25 2026-02-10T11:42:00,996 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 2026-02-10T11:42:00,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30 2026-02-10T11:42:00,999 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 2026-02-10T11:42:01,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s 2026-02-10T11:42:01,002 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 2026-02-10T11:42:01,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68 2026-02-10T11:42:01,006 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 2026-02-10T11:42:01,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg 2026-02-10T11:42:01,010 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 2026-02-10T11:42:01,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67 2026-02-10T11:42:01,013 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 2026-02-10T11:42:01,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78 2026-02-10T11:42:01,017 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 2026-02-10T11:42:01,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43 2026-02-10T11:42:01,020 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 2026-02-10T11:42:01,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37 2026-02-10T11:42:01,023 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 2026-02-10T11:42:01,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22 2026-02-10T11:42:01,027 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 2026-02-10T11:42:01,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p 2026-02-10T11:42:01,031 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 2026-02-10T11:42:01,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26 2026-02-10T11:42:01,034 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 2026-02-10T11:42:01,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+ 2026-02-10T11:42:01,038 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+ 2026-02-10T11:42:01,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72 2026-02-10T11:42:01,042 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 2026-02-10T11:42:01,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f 2026-02-10T11:42:01,046 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 2026-02-10T11:42:01,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+ 2026-02-10T11:42:01,049 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+ 2026-02-10T11:42:01,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60 2026-02-10T11:42:01,053 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 2026-02-10T11:42:01,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl 2026-02-10T11:42:01,056 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 2026-02-10T11:42:01,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65 2026-02-10T11:42:01,061 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 2026-02-10T11:42:01,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51 2026-02-10T11:42:01,065 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 2026-02-10T11:42:01,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71 2026-02-10T11:42:01,069 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 2026-02-10T11:42:01,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11 2026-02-10T11:42:01,072 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 2026-02-10T11:42:01,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61 2026-02-10T11:42:01,076 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 2026-02-10T11:42:01,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+ 2026-02-10T11:42:01,079 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+ 2026-02-10T11:42:01,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c 2026-02-10T11:42:01,083 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 2026-02-10T11:42:01,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+ 2026-02-10T11:42:01,087 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+ 2026-02-10T11:42:01,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14 2026-02-10T11:42:01,090 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 2026-02-10T11:42:01,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al 2026-02-10T11:42:01,094 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 2026-02-10T11:42:01,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19 2026-02-10T11:42:01,097 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 2026-02-10T11:42:01,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62 2026-02-10T11:42:01,100 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 2026-02-10T11:42:01,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8 2026-02-10T11:42:01,104 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 2026-02-10T11:42:01,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79 2026-02-10T11:42:01,107 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 2026-02-10T11:42:01,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63 2026-02-10T11:42:01,111 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 2026-02-10T11:42:01,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34 2026-02-10T11:42:01,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25 2026-02-10T11:42:01,117 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 2026-02-10T11:42:01,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24 2026-02-10T11:42:01,120 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 2026-02-10T11:42:01,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23 2026-02-10T11:42:01,123 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 2026-02-10T11:42:01,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19 2026-02-10T11:42:01,127 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 2026-02-10T11:42:01,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21 2026-02-10T11:42:01,131 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 2026-02-10T11:42:01,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26 2026-02-10T11:42:01,134 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 2026-02-10T11:42:01,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9 2026-02-10T11:42:01,138 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 2026-02-10T11:42:01,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3 2026-02-10T11:42:01,141 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 2026-02-10T11:42:01,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4 2026-02-10T11:42:01,145 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 2026-02-10T11:42:01,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20 2026-02-10T11:42:01,148 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 2026-02-10T11:42:01,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27 2026-02-10T11:42:01,151 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 2026-02-10T11:42:01,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6 2026-02-10T11:42:01,155 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 2026-02-10T11:42:01,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26 2026-02-10T11:42:01,159 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 2026-02-10T11:42:01,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30 2026-02-10T11:42:01,162 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 2026-02-10T11:42:01,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10 2026-02-10T11:42:01,166 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 2026-02-10T11:42:01,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20 2026-02-10T11:42:01,169 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 2026-02-10T11:42:01,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11 2026-02-10T11:42:01,173 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 2026-02-10T11:42:01,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7 2026-02-10T11:42:01,176 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 2026-02-10T11:42:01,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34 2026-02-10T11:42:01,179 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 2026-02-10T11:42:01,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7 2026-02-10T11:42:01,183 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 2026-02-10T11:42:01,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32 2026-02-10T11:42:01,186 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 2026-02-10T11:42:01,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30 2026-02-10T11:42:01,190 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 2026-02-10T11:42:01,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1 2026-02-10T11:42:01,193 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 2026-02-10T11:42:01,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12 2026-02-10T11:42:01,197 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 2026-02-10T11:42:01,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4 2026-02-10T11:42:01,200 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 2026-02-10T11:42:01,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15 2026-02-10T11:42:01,204 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 2026-02-10T11:42:01,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15 2026-02-10T11:42:01,208 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 2026-02-10T11:42:01,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2 2026-02-10T11:42:01,211 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 2026-02-10T11:42:01,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22 2026-02-10T11:42:01,214 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 2026-02-10T11:42:01,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23 2026-02-10T11:42:01,218 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 2026-02-10T11:42:01,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24 2026-02-10T11:42:01,221 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 2026-02-10T11:42:01,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16 2026-02-10T11:42:01,224 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 2026-02-10T11:42:01,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34 2026-02-10T11:42:01,228 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 2026-02-10T11:42:01,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10 2026-02-10T11:42:01,232 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 2026-02-10T11:42:01,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17 2026-02-10T11:42:01,236 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 2026-02-10T11:42:01,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17 2026-02-10T11:42:01,240 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 2026-02-10T11:42:01,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3 2026-02-10T11:42:01,244 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 2026-02-10T11:42:01,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21 2026-02-10T11:42:01,249 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 2026-02-10T11:42:01,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27 2026-02-10T11:42:01,253 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 2026-02-10T11:42:01,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13 2026-02-10T11:42:01,257 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 2026-02-10T11:42:01,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5 2026-02-10T11:42:01,261 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 2026-02-10T11:42:01,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31 2026-02-10T11:42:01,266 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 2026-02-10T11:42:01,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8 2026-02-10T11:42:01,271 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 2026-02-10T11:42:01,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29 2026-02-10T11:42:01,277 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 2026-02-10T11:42:01,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1 2026-02-10T11:42:01,281 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 2026-02-10T11:42:01,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14 2026-02-10T11:42:01,285 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 2026-02-10T11:42:01,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33 2026-02-10T11:42:01,290 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 2026-02-10T11:42:01,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31 2026-02-10T11:42:01,294 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 2026-02-10T11:42:01,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33 2026-02-10T11:42:01,299 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 2026-02-10T11:42:01,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16 2026-02-10T11:42:01,303 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 2026-02-10T11:42:01,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9 2026-02-10T11:42:01,308 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 2026-02-10T11:42:01,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11 2026-02-10T11:42:01,313 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 2026-02-10T11:42:01,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14 2026-02-10T11:42:01,317 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 2026-02-10T11:42:01,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12 2026-02-10T11:42:01,322 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 2026-02-10T11:42:01,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8 2026-02-10T11:42:01,326 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 2026-02-10T11:42:01,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29 2026-02-10T11:42:01,330 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 2026-02-10T11:42:01,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25 2026-02-10T11:42:01,335 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 2026-02-10T11:42:01,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13 2026-02-10T11:42:01,338 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 2026-02-10T11:42:01,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28 2026-02-10T11:42:01,342 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 2026-02-10T11:42:01,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18 2026-02-10T11:42:01,345 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 2026-02-10T11:42:01,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18 2026-02-10T11:42:01,348 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 2026-02-10T11:42:01,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32 2026-02-10T11:42:01,352 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 2026-02-10T11:42:01,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28 2026-02-10T11:42:01,355 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 2026-02-10T11:42:01,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6 2026-02-10T11:42:01,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2 2026-02-10T11:42:01,361 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 2026-02-10T11:42:01,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3 2026-02-10T11:42:01,364 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 2026-02-10T11:42:01,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4 2026-02-10T11:42:01,367 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 2026-02-10T11:42:01,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2 2026-02-10T11:42:01,371 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 2026-02-10T11:42:01,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6 2026-02-10T11:42:01,374 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 2026-02-10T11:42:01,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7 2026-02-10T11:42:01,378 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 2026-02-10T11:42:01,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5 2026-02-10T11:42:01,381 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 2026-02-10T11:42:01,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6 2026-02-10T11:42:01,385 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 2026-02-10T11:42:01,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5 2026-02-10T11:42:01,388 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 2026-02-10T11:42:01,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3 2026-02-10T11:42:01,391 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 2026-02-10T11:42:01,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4 2026-02-10T11:42:01,395 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 2026-02-10T11:42:01,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7 2026-02-10T11:42:01,399 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 2026-02-10T11:42:01,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4 2026-02-10T11:42:01,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:42:01,405 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 2026-02-10T11:42:01,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:42:01,409 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 2026-02-10T11:42:01,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:42:01,412 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 2026-02-10T11:42:01,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:42:01,416 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 2026-02-10T11:42:01,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:42:01,419 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 2026-02-10T11:42:01,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:42:01,423 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 2026-02-10T11:42:01,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:42:01,426 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 2026-02-10T11:42:01,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:42:01,430 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 2026-02-10T11:42:01,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:42:01,433 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 2026-02-10T11:42:01,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:42:01,437 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 2026-02-10T11:42:01,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:42:01,440 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 2026-02-10T11:42:01,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:42:01,444 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 2026-02-10T11:42:01,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:42:01,447 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 2026-02-10T11:42:01,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:42:01,451 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 2026-02-10T11:42:01,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:42:01,454 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 2026-02-10T11:42:01,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:42:01,458 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 2026-02-10T11:42:01,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:42:01,462 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 2026-02-10T11:42:01,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:42:01,465 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 2026-02-10T11:42:01,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:42:01,469 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 2026-02-10T11:42:01,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:42:01,472 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 2026-02-10T11:42:01,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:42:01,476 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 2026-02-10T11:42:01,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:42:01,479 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 2026-02-10T11:42:01,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:42:01,483 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 2026-02-10T11:42:01,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:42:01,487 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 2026-02-10T11:42:01,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:42:01,490 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 2026-02-10T11:42:01,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:42:01,494 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 2026-02-10T11:42:01,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:42:01,497 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 2026-02-10T11:42:01,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:42:01,501 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 2026-02-10T11:42:01,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:42:01,504 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 2026-02-10T11:42:01,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:42:01,508 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 2026-02-10T11:42:01,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:42:01,511 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 2026-02-10T11:42:01,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:42:01,515 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 2026-02-10T11:42:01,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:42:01,519 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 2026-02-10T11:42:01,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:42:01,523 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 2026-02-10T11:42:01,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:42:01,527 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 2026-02-10T11:42:01,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:42:01,530 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 2026-02-10T11:42:01,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:42:01,534 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 2026-02-10T11:42:01,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:42:01,537 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 2026-02-10T11:42:01,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:42:01,541 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 2026-02-10T11:42:01,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:42:01,544 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 2026-02-10T11:42:01,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:42:01,548 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 2026-02-10T11:42:01,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:42:01,552 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 2026-02-10T11:42:01,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:42:01,556 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 2026-02-10T11:42:01,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:42:01,559 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 2026-02-10T11:42:01,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:42:01,563 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 2026-02-10T11:42:01,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:42:01,566 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 2026-02-10T11:42:01,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:42:01,570 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 2026-02-10T11:42:01,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:42:01,573 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 2026-02-10T11:42:01,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:42:01,577 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 2026-02-10T11:42:01,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:42:01,580 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 2026-02-10T11:42:01,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:42:01,583 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 2026-02-10T11:42:01,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:42:01,587 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 2026-02-10T11:42:01,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:42:01,590 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 2026-02-10T11:42:01,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:42:01,594 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 2026-02-10T11:42:01,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:42:01,598 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 2026-02-10T11:42:01,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:42:01,601 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 2026-02-10T11:42:01,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:42:01,605 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 2026-02-10T11:42:01,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:42:01,609 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 2026-02-10T11:42:01,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:42:01,612 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 2026-02-10T11:42:01,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:42:01,616 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 2026-02-10T11:42:01,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:42:01,619 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 2026-02-10T11:42:01,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:42:01,623 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 2026-02-10T11:42:01,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:42:01,626 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 2026-02-10T11:42:01,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:42:01,629 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 2026-02-10T11:42:01,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:42:01,633 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 2026-02-10T11:42:01,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:42:01,637 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 2026-02-10T11:42:01,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:42:01,641 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 2026-02-10T11:42:01,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:42:01,644 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 2026-02-10T11:42:01,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:42:01,648 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 2026-02-10T11:42:01,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:42:01,652 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 2026-02-10T11:42:01,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:42:01,655 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 2026-02-10T11:42:01,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:42:01,659 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 2026-02-10T11:42:01,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:42:01,662 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 2026-02-10T11:42:01,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:42:01,666 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 2026-02-10T11:42:01,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:42:01,669 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 2026-02-10T11:42:01,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:42:01,673 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 2026-02-10T11:42:01,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:42:01,677 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 2026-02-10T11:42:01,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:42:01,680 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 2026-02-10T11:42:01,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:42:01,684 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 2026-02-10T11:42:01,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:42:01,688 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 2026-02-10T11:42:01,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:42:01,691 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 2026-02-10T11:42:01,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:42:01,695 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 2026-02-10T11:42:01,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:42:01,699 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 2026-02-10T11:42:01,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:42:01,702 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 2026-02-10T11:42:01,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:42:01,705 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 2026-02-10T11:42:01,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:42:01,709 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 2026-02-10T11:42:01,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:42:01,713 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 2026-02-10T11:42:01,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:42:01,716 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 2026-02-10T11:42:01,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:42:01,719 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 2026-02-10T11:42:01,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:42:01,723 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 2026-02-10T11:42:01,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:42:01,726 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 2026-02-10T11:42:01,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:42:01,730 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 2026-02-10T11:42:01,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:42:01,733 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 2026-02-10T11:42:01,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:42:01,737 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 2026-02-10T11:42:01,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:42:01,740 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 2026-02-10T11:42:01,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:42:01,744 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 2026-02-10T11:42:01,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:42:01,747 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 2026-02-10T11:42:01,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:42:01,751 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 2026-02-10T11:42:01,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:42:01,754 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 2026-02-10T11:42:01,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:42:01,758 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 2026-02-10T11:42:01,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6 2026-02-10T11:42:01,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3 2026-02-10T11:42:01,763 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 2026-02-10T11:42:01,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4 2026-02-10T11:42:01,766 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 2026-02-10T11:42:01,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:42:01,770 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 2026-02-10T11:42:01,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6 2026-02-10T11:42:01,773 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 2026-02-10T11:42:01,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3 2026-02-10T11:42:01,777 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 2026-02-10T11:42:01,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6 2026-02-10T11:42:01,780 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 2026-02-10T11:42:01,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3 2026-02-10T11:42:01,784 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 2026-02-10T11:42:01,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5 2026-02-10T11:42:01,787 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 2026-02-10T11:42:01,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6 2026-02-10T11:42:01,790 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 2026-02-10T11:42:01,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2 2026-02-10T11:42:01,794 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 2026-02-10T11:42:01,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3 2026-02-10T11:42:01,797 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 2026-02-10T11:42:01,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:42:01,802 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 2026-02-10T11:42:01,804 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 2026-02-10T11:42:01,806 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 2026-02-10T11:42:01,807 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 2026-02-10T11:42:01,809 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 2026-02-10T11:42:01,811 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 2026-02-10T11:42:01,813 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 2026-02-10T11:42:01,815 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 2026-02-10T11:42:01,816 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 2026-02-10T11:42:01,818 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 2026-02-10T11:42:01,820 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 2026-02-10T11:42:01,823 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 2026-02-10T11:42:01,825 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 2026-02-10T11:42:01,827 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 2026-02-10T11:42:01,829 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 2026-02-10T11:42:01,831 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 2026-02-10T11:42:01,833 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 2026-02-10T11:42:01,834 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 2026-02-10T11:42:01,836 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 2026-02-10T11:42:01,838 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 2026-02-10T11:42:01,840 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 2026-02-10T11:42:01,842 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 2026-02-10T11:42:01,844 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 2026-02-10T11:42:01,845 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 2026-02-10T11:42:01,847 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 2026-02-10T11:42:01,849 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 2026-02-10T11:42:01,851 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 2026-02-10T11:42:01,853 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 2026-02-10T11:42:01,854 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 2026-02-10T11:42:01,856 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 2026-02-10T11:42:01,858 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 2026-02-10T11:42:01,859 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 2026-02-10T11:42:01,861 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 2026-02-10T11:42:01,863 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 2026-02-10T11:42:01,865 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 2026-02-10T11:42:01,866 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 2026-02-10T11:42:01,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES 2026-02-10T11:42:01,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18 2026-02-10T11:42:01,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2 2026-02-10T11:42:01,875 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2 2026-02-10T11:42:01,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr 2026-02-10T11:42:01,878 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr 2026-02-10T11:42:01,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr 2026-02-10T11:42:01,882 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr 2026-02-10T11:42:01,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2 2026-02-10T11:42:01,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2 2026-02-10T11:42:01,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe 2026-02-10T11:42:01,889 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe 2026-02-10T11:42:01,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3 2026-02-10T11:42:01,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3 2026-02-10T11:42:01,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2 2026-02-10T11:42:01,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2 2026-02-10T11:42:01,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:42:01,899 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:42:01,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6 2026-02-10T11:42:01,902 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6 2026-02-10T11:42:01,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe 2026-02-10T11:42:01,906 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe 2026-02-10T11:42:01,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3 2026-02-10T11:42:01,909 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3 2026-02-10T11:42:01,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf 2026-02-10T11:42:01,913 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf 2026-02-10T11:42:01,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6 2026-02-10T11:42:01,916 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6 2026-02-10T11:42:01,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr 2026-02-10T11:42:01,920 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr 2026-02-10T11:42:01,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr 2026-02-10T11:42:01,923 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr 2026-02-10T11:42:01,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne 2026-02-10T11:42:01,926 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne 2026-02-10T11:42:01,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:42:01,929 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:42:01,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3 2026-02-10T11:42:01,933 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3 2026-02-10T11:42:01,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz 2026-02-10T11:42:01,936 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz 2026-02-10T11:42:01,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4 2026-02-10T11:42:01,940 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4 2026-02-10T11:42:01,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar 2026-02-10T11:42:01,943 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar 2026-02-10T11:42:01,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:42:01,946 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:42:01,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2 2026-02-10T11:42:01,950 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2 2026-02-10T11:42:01,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4 2026-02-10T11:42:01,953 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4 2026-02-10T11:42:01,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:42:01,956 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:42:01,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18 2026-02-10T11:42:01,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1 2026-02-10T11:42:01,962 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1 2026-02-10T11:42:01,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:42:01,965 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:42:01,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2 2026-02-10T11:42:01,968 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2 2026-02-10T11:42:01,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:42:01,972 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:42:01,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:42:01,975 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:42:01,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8 2026-02-10T11:42:01,978 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8 2026-02-10T11:42:01,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9 2026-02-10T11:42:01,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9 2026-02-10T11:42:01,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1 2026-02-10T11:42:01,985 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1 2026-02-10T11:42:01,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2 2026-02-10T11:42:01,988 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2 2026-02-10T11:42:01,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:42:01,992 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:42:01,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7 2026-02-10T11:42:01,995 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7 2026-02-10T11:42:01,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5 2026-02-10T11:42:01,999 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5 2026-02-10T11:42:02,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:42:02,002 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:42:02,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5 2026-02-10T11:42:02,005 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5 2026-02-10T11:42:02,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4 2026-02-10T11:42:02,009 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4 2026-02-10T11:42:02,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o 2026-02-10T11:42:02,012 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o 2026-02-10T11:42:02,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:42:02,016 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:42:02,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9 2026-02-10T11:42:02,019 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9 2026-02-10T11:42:02,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3 2026-02-10T11:42:02,022 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3 2026-02-10T11:42:02,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3 2026-02-10T11:42:02,026 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3 2026-02-10T11:42:02,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:42:02,029 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:42:02,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4 2026-02-10T11:42:02,033 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4 2026-02-10T11:42:02,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:42:02,036 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:42:02,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8 2026-02-10T11:42:02,040 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8 2026-02-10T11:42:02,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6 2026-02-10T11:42:02,043 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6 2026-02-10T11:42:02,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7 2026-02-10T11:42:02,046 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7 2026-02-10T11:42:02,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6 2026-02-10T11:42:02,050 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6 2026-02-10T11:42:02,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:42:02,053 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:42:02,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21 2026-02-10T11:42:02,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1 2026-02-10T11:42:02,059 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1 2026-02-10T11:42:02,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A 2026-02-10T11:42:02,062 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A 2026-02-10T11:42:02,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B 2026-02-10T11:42:02,065 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B 2026-02-10T11:42:02,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A 2026-02-10T11:42:02,069 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A 2026-02-10T11:42:02,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B 2026-02-10T11:42:02,072 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B 2026-02-10T11:42:02,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B 2026-02-10T11:42:02,076 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B 2026-02-10T11:42:02,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4 2026-02-10T11:42:02,079 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4 2026-02-10T11:42:02,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A 2026-02-10T11:42:02,082 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A 2026-02-10T11:42:02,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A 2026-02-10T11:42:02,086 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A 2026-02-10T11:42:02,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12 2026-02-10T11:42:02,090 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12 2026-02-10T11:42:02,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A 2026-02-10T11:42:02,093 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A 2026-02-10T11:42:02,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18 2026-02-10T11:42:02,096 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18 2026-02-10T11:42:02,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A 2026-02-10T11:42:02,100 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A 2026-02-10T11:42:02,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13 2026-02-10T11:42:02,103 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13 2026-02-10T11:42:02,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A 2026-02-10T11:42:02,106 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A 2026-02-10T11:42:02,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B 2026-02-10T11:42:02,110 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B 2026-02-10T11:42:02,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A 2026-02-10T11:42:02,113 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A 2026-02-10T11:42:02,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A 2026-02-10T11:42:02,117 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A 2026-02-10T11:42:02,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B 2026-02-10T11:42:02,120 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B 2026-02-10T11:42:02,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A 2026-02-10T11:42:02,123 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A 2026-02-10T11:42:02,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A 2026-02-10T11:42:02,127 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A 2026-02-10T11:42:02,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20 2026-02-10T11:42:02,130 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20 2026-02-10T11:42:02,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3 2026-02-10T11:42:02,133 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3 2026-02-10T11:42:02,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A 2026-02-10T11:42:02,137 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A 2026-02-10T11:42:02,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B 2026-02-10T11:42:02,140 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B 2026-02-10T11:42:02,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A 2026-02-10T11:42:02,144 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A 2026-02-10T11:42:02,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B 2026-02-10T11:42:02,147 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B 2026-02-10T11:42:02,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A 2026-02-10T11:42:02,150 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A 2026-02-10T11:42:02,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B 2026-02-10T11:42:02,154 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B 2026-02-10T11:42:02,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16 2026-02-10T11:42:02,157 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16 2026-02-10T11:42:02,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B 2026-02-10T11:42:02,160 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B 2026-02-10T11:42:02,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B 2026-02-10T11:42:02,164 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B 2026-02-10T11:42:02,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A 2026-02-10T11:42:02,167 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A 2026-02-10T11:42:02,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B 2026-02-10T11:42:02,171 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B 2026-02-10T11:42:02,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A 2026-02-10T11:42:02,174 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A 2026-02-10T11:42:02,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B 2026-02-10T11:42:02,178 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B 2026-02-10T11:42:02,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B 2026-02-10T11:42:02,182 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B 2026-02-10T11:42:02,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9 2026-02-10T11:42:02,185 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9 2026-02-10T11:42:02,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A 2026-02-10T11:42:02,191 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A 2026-02-10T11:42:02,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A 2026-02-10T11:42:02,194 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A 2026-02-10T11:42:02,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A 2026-02-10T11:42:02,198 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A 2026-02-10T11:42:02,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7 2026-02-10T11:42:02,201 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7 2026-02-10T11:42:02,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10 2026-02-10T11:42:02,204 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10 2026-02-10T11:42:02,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B 2026-02-10T11:42:02,208 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B 2026-02-10T11:42:02,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6 2026-02-10T11:42:02,212 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6 2026-02-10T11:42:02,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B 2026-02-10T11:42:02,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B 2026-02-10T11:42:02,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A 2026-02-10T11:42:02,220 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A 2026-02-10T11:42:02,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A 2026-02-10T11:42:02,223 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A 2026-02-10T11:42:02,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B 2026-02-10T11:42:02,226 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B 2026-02-10T11:42:02,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B 2026-02-10T11:42:02,230 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B 2026-02-10T11:42:02,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B 2026-02-10T11:42:02,233 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B 2026-02-10T11:42:02,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11 2026-02-10T11:42:02,237 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11 2026-02-10T11:42:02,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B 2026-02-10T11:42:02,241 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B 2026-02-10T11:42:02,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5 2026-02-10T11:42:02,244 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5 2026-02-10T11:42:02,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15 2026-02-10T11:42:02,248 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15 2026-02-10T11:42:02,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B 2026-02-10T11:42:02,252 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B 2026-02-10T11:42:02,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17 2026-02-10T11:42:02,256 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17 2026-02-10T11:42:02,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21 2026-02-10T11:42:02,259 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21 2026-02-10T11:42:02,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B 2026-02-10T11:42:02,262 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B 2026-02-10T11:42:02,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2 2026-02-10T11:42:02,266 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2 2026-02-10T11:42:02,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14 2026-02-10T11:42:02,269 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14 2026-02-10T11:42:02,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19 2026-02-10T11:42:02,272 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19 2026-02-10T11:42:02,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8 2026-02-10T11:42:02,276 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8 2026-02-10T11:42:02,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI 2026-02-10T11:42:02,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts 2026-02-10T11:42:02,281 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts 2026-02-10T11:42:02,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1 2026-02-10T11:42:02,285 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1 2026-02-10T11:42:02,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6 2026-02-10T11:42:02,288 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6 2026-02-10T11:42:02,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:42:02,292 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:42:02,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts 2026-02-10T11:42:02,296 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts 2026-02-10T11:42:02,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6 2026-02-10T11:42:02,300 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6 2026-02-10T11:42:02,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r 2026-02-10T11:42:02,303 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r 2026-02-10T11:42:02,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:42:02,306 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:42:02,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:42:02,309 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:42:02,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:42:02,313 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:42:02,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:42:02,316 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 2026-02-10T11:42:02,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7 2026-02-10T11:42:02,320 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7 2026-02-10T11:42:02,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:42:02,324 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:42:02,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r 2026-02-10T11:42:02,329 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r 2026-02-10T11:42:02,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5 2026-02-10T11:42:02,332 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5 2026-02-10T11:42:02,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r 2026-02-10T11:42:02,337 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r 2026-02-10T11:42:02,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3 2026-02-10T11:42:02,343 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3 2026-02-10T11:42:02,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:42:02,347 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:42:02,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:42:02,351 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 2026-02-10T11:42:02,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:42:02,355 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:42:02,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts 2026-02-10T11:42:02,358 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts 2026-02-10T11:42:02,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:42:02,362 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 2026-02-10T11:42:02,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts 2026-02-10T11:42:02,365 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts 2026-02-10T11:42:02,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5 2026-02-10T11:42:02,369 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5 2026-02-10T11:42:02,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2 2026-02-10T11:42:02,373 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2 2026-02-10T11:42:02,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:42:02,379 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:42:02,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3 2026-02-10T11:42:02,382 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3 2026-02-10T11:42:02,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11 2026-02-10T11:42:02,386 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11 2026-02-10T11:42:02,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:42:02,389 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 2026-02-10T11:42:02,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts 2026-02-10T11:42:02,393 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts 2026-02-10T11:42:02,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts 2026-02-10T11:42:02,396 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts 2026-02-10T11:42:02,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:42:02,400 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:42:02,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:42:02,404 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 2026-02-10T11:42:02,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:42:02,408 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:42:02,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts 2026-02-10T11:42:02,411 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts 2026-02-10T11:42:02,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r 2026-02-10T11:42:02,414 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r 2026-02-10T11:42:02,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:42:02,418 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 2026-02-10T11:42:02,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r 2026-02-10T11:42:02,422 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r 2026-02-10T11:42:02,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:42:02,426 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:42:02,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts 2026-02-10T11:42:02,430 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts 2026-02-10T11:42:02,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4 2026-02-10T11:42:02,434 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4 2026-02-10T11:42:02,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8 2026-02-10T11:42:02,437 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8 2026-02-10T11:42:02,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:42:02,441 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 2026-02-10T11:42:02,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:42:02,444 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:42:02,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4 2026-02-10T11:42:02,448 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4 2026-02-10T11:42:02,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9 2026-02-10T11:42:02,453 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9 2026-02-10T11:42:02,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r 2026-02-10T11:42:02,457 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r 2026-02-10T11:42:02,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:42:02,460 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:42:02,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts 2026-02-10T11:42:02,463 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts 2026-02-10T11:42:02,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7 2026-02-10T11:42:02,467 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7 2026-02-10T11:42:02,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:42:02,472 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:42:02,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8 2026-02-10T11:42:02,476 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8 2026-02-10T11:42:02,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:42:02,479 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:42:02,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10 2026-02-10T11:42:02,483 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10 2026-02-10T11:42:02,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:42:02,486 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:42:02,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r 2026-02-10T11:42:02,490 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r 2026-02-10T11:42:02,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r 2026-02-10T11:42:02,493 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r 2026-02-10T11:42:02,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9 2026-02-10T11:42:02,497 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9 2026-02-10T11:42:02,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:42:02,500 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:42:02,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1 2026-02-10T11:42:02,504 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1 2026-02-10T11:42:02,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2 2026-02-10T11:42:02,508 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2 2026-02-10T11:42:02,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF 2026-02-10T11:42:02,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13 2026-02-10T11:42:02,512 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13 2026-02-10T11:42:02,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15 2026-02-10T11:42:02,516 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15 2026-02-10T11:42:02,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8 2026-02-10T11:42:02,519 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8 2026-02-10T11:42:02,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2 2026-02-10T11:42:02,523 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2 2026-02-10T11:42:02,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1 2026-02-10T11:42:02,527 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1 2026-02-10T11:42:02,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11 2026-02-10T11:42:02,530 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11 2026-02-10T11:42:02,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4 2026-02-10T11:42:02,534 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4 2026-02-10T11:42:02,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7 2026-02-10T11:42:02,537 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7 2026-02-10T11:42:02,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3 2026-02-10T11:42:02,541 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3 2026-02-10T11:42:02,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12 2026-02-10T11:42:02,544 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12 2026-02-10T11:42:02,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4 2026-02-10T11:42:02,547 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4 2026-02-10T11:42:02,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5 2026-02-10T11:42:02,551 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5 2026-02-10T11:42:02,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6 2026-02-10T11:42:02,571 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6 2026-02-10T11:42:02,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1 2026-02-10T11:42:02,575 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1 2026-02-10T11:42:02,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10 2026-02-10T11:42:02,578 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10 2026-02-10T11:42:02,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3 2026-02-10T11:42:02,582 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3 2026-02-10T11:42:02,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14 2026-02-10T11:42:02,589 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14 2026-02-10T11:42:02,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2 2026-02-10T11:42:02,592 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2 2026-02-10T11:42:02,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9 2026-02-10T11:42:02,596 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9 2026-02-10T11:42:02,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF 2026-02-10T11:42:02,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1 2026-02-10T11:42:02,603 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1 2026-02-10T11:42:02,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36 2026-02-10T11:42:02,607 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36 2026-02-10T11:42:02,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4 2026-02-10T11:42:02,612 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4 2026-02-10T11:42:02,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12 2026-02-10T11:42:02,616 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12 2026-02-10T11:42:02,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27 2026-02-10T11:42:02,620 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27 2026-02-10T11:42:02,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18 2026-02-10T11:42:02,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18 2026-02-10T11:42:02,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34 2026-02-10T11:42:02,628 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34 2026-02-10T11:42:02,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13 2026-02-10T11:42:02,632 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13 2026-02-10T11:42:02,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48 2026-02-10T11:42:02,637 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48 2026-02-10T11:42:02,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45 2026-02-10T11:42:02,641 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45 2026-02-10T11:42:02,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46 2026-02-10T11:42:02,647 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46 2026-02-10T11:42:02,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38 2026-02-10T11:42:02,654 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38 2026-02-10T11:42:02,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49 2026-02-10T11:42:02,658 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49 2026-02-10T11:42:02,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20 2026-02-10T11:42:02,662 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20 2026-02-10T11:42:02,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3 2026-02-10T11:42:02,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3 2026-02-10T11:42:02,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41 2026-02-10T11:42:02,670 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41 2026-02-10T11:42:02,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16 2026-02-10T11:42:02,675 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16 2026-02-10T11:42:02,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44 2026-02-10T11:42:02,679 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44 2026-02-10T11:42:02,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25 2026-02-10T11:42:02,687 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25 2026-02-10T11:42:02,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30 2026-02-10T11:42:02,695 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30 2026-02-10T11:42:02,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9 2026-02-10T11:42:02,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9 2026-02-10T11:42:02,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43 2026-02-10T11:42:02,702 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43 2026-02-10T11:42:02,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37 2026-02-10T11:42:02,708 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37 2026-02-10T11:42:02,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22 2026-02-10T11:42:02,713 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22 2026-02-10T11:42:02,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7 2026-02-10T11:42:02,717 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7 2026-02-10T11:42:02,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23 2026-02-10T11:42:02,720 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23 2026-02-10T11:42:02,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10 2026-02-10T11:42:02,725 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10 2026-02-10T11:42:02,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47 2026-02-10T11:42:02,729 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47 2026-02-10T11:42:02,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28 2026-02-10T11:42:02,732 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28 2026-02-10T11:42:02,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26 2026-02-10T11:42:02,736 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26 2026-02-10T11:42:02,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6 2026-02-10T11:42:02,739 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6 2026-02-10T11:42:02,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40 2026-02-10T11:42:02,743 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40 2026-02-10T11:42:02,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50 2026-02-10T11:42:02,748 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50 2026-02-10T11:42:02,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51 2026-02-10T11:42:02,753 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51 2026-02-10T11:42:02,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11 2026-02-10T11:42:02,758 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11 2026-02-10T11:42:02,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32 2026-02-10T11:42:02,763 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32 2026-02-10T11:42:02,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5 2026-02-10T11:42:02,769 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5 2026-02-10T11:42:02,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24 2026-02-10T11:42:02,774 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24 2026-02-10T11:42:02,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15 2026-02-10T11:42:02,780 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15 2026-02-10T11:42:02,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17 2026-02-10T11:42:02,784 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17 2026-02-10T11:42:02,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21 2026-02-10T11:42:02,789 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21 2026-02-10T11:42:02,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52 2026-02-10T11:42:02,794 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52 2026-02-10T11:42:02,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42 2026-02-10T11:42:02,798 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42 2026-02-10T11:42:02,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2 2026-02-10T11:42:02,804 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2 2026-02-10T11:42:02,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39 2026-02-10T11:42:02,809 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39 2026-02-10T11:42:02,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35 2026-02-10T11:42:02,815 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35 2026-02-10T11:42:02,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14 2026-02-10T11:42:02,819 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14 2026-02-10T11:42:02,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19 2026-02-10T11:42:02,825 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19 2026-02-10T11:42:02,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33 2026-02-10T11:42:02,829 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33 2026-02-10T11:42:02,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29 2026-02-10T11:42:02,834 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29 2026-02-10T11:42:02,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8 2026-02-10T11:42:02,839 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8 2026-02-10T11:42:02,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31 2026-02-10T11:42:02,844 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31 2026-02-10T11:42:02,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6 2026-02-10T11:42:02,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A 2026-02-10T11:42:02,850 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A 2026-02-10T11:42:02,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A 2026-02-10T11:42:02,853 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A 2026-02-10T11:42:02,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27 2026-02-10T11:42:02,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27 2026-02-10T11:42:02,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B 2026-02-10T11:42:02,859 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B 2026-02-10T11:42:02,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A 2026-02-10T11:42:02,862 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A 2026-02-10T11:42:02,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B 2026-02-10T11:42:02,865 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B 2026-02-10T11:42:02,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A 2026-02-10T11:42:02,868 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A 2026-02-10T11:42:02,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25 2026-02-10T11:42:02,872 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25 2026-02-10T11:42:02,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22 2026-02-10T11:42:02,875 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22 2026-02-10T11:42:02,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23 2026-02-10T11:42:02,878 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23 2026-02-10T11:42:02,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A 2026-02-10T11:42:02,881 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A 2026-02-10T11:42:02,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A 2026-02-10T11:42:02,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A 2026-02-10T11:42:02,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B 2026-02-10T11:42:02,888 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B 2026-02-10T11:42:02,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26 2026-02-10T11:42:02,891 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26 2026-02-10T11:42:02,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B 2026-02-10T11:42:02,895 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B 2026-02-10T11:42:02,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24 2026-02-10T11:42:02,898 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24 2026-02-10T11:42:02,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B 2026-02-10T11:42:02,902 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B 2026-02-10T11:42:02,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B 2026-02-10T11:42:02,905 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B 2026-02-10T11:42:02,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8 2026-02-10T11:42:02,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me 2026-02-10T11:42:02,910 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me 2026-02-10T11:42:02,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+ 2026-02-10T11:42:02,914 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+ 2026-02-10T11:42:02,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8 2026-02-10T11:42:02,917 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8 2026-02-10T11:42:02,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+ 2026-02-10T11:42:02,920 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+ 2026-02-10T11:42:02,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch 2026-02-10T11:42:02,924 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch 2026-02-10T11:42:02,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:42:02,927 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 2026-02-10T11:42:02,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c 2026-02-10T11:42:02,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c 2026-02-10T11:42:02,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:42:02,934 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:42:02,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:42:02,937 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 2026-02-10T11:42:02,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me 2026-02-10T11:42:02,941 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me 2026-02-10T11:42:02,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h 2026-02-10T11:42:02,944 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h 2026-02-10T11:42:02,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2 2026-02-10T11:42:02,948 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2 2026-02-10T11:42:02,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4 2026-02-10T11:42:02,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4 2026-02-10T11:42:02,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2 2026-02-10T11:42:02,954 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2 2026-02-10T11:42:02,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2 2026-02-10T11:42:02,958 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2 2026-02-10T11:42:02,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8 2026-02-10T11:42:02,961 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8 2026-02-10T11:42:02,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:42:02,964 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:42:02,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO 2026-02-10T11:42:02,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1 2026-02-10T11:42:02,969 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1 2026-02-10T11:42:02,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4 2026-02-10T11:42:02,973 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4 2026-02-10T11:42:02,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3 2026-02-10T11:42:02,977 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3 2026-02-10T11:42:02,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9 2026-02-10T11:42:02,980 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9 2026-02-10T11:42:02,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7 2026-02-10T11:42:02,984 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7 2026-02-10T11:42:02,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10 2026-02-10T11:42:02,988 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10 2026-02-10T11:42:02,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6 2026-02-10T11:42:02,992 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6 2026-02-10T11:42:02,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5 2026-02-10T11:42:02,996 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5 2026-02-10T11:42:03,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2 2026-02-10T11:42:03,001 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2 2026-02-10T11:42:03,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8 2026-02-10T11:42:03,005 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8 2026-02-10T11:42:03,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76 2026-02-10T11:42:03,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts 2026-02-10T11:42:03,011 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts 2026-02-10T11:42:03,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20 2026-02-10T11:42:03,015 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20 2026-02-10T11:42:03,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8 2026-02-10T11:42:03,019 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8 2026-02-10T11:42:03,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh 2026-02-10T11:42:03,023 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh 2026-02-10T11:42:03,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc 2026-02-10T11:42:03,026 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc 2026-02-10T11:42:03,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh- 2026-02-10T11:42:03,029 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh- 2026-02-10T11:42:03,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19 2026-02-10T11:42:03,033 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19 2026-02-10T11:42:03,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts 2026-02-10T11:42:03,037 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts 2026-02-10T11:42:03,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:42:03,041 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:42:03,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf 2026-02-10T11:42:03,044 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf 2026-02-10T11:42:03,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co 2026-02-10T11:42:03,048 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co 2026-02-10T11:42:03,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots 2026-02-10T11:42:03,051 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots 2026-02-10T11:42:03,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:42:03,054 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:42:03,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07 2026-02-10T11:42:03,058 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07 2026-02-10T11:42:03,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts 2026-02-10T11:42:03,061 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts 2026-02-10T11:42:03,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2 2026-02-10T11:42:03,064 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2 2026-02-10T11:42:03,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:42:03,068 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:42:03,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4 2026-02-10T11:42:03,071 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4 2026-02-10T11:42:03,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f- 2026-02-10T11:42:03,075 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f- 2026-02-10T11:42:03,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O 2026-02-10T11:42:03,078 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O 2026-02-10T11:42:03,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2 2026-02-10T11:42:03,082 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2 2026-02-10T11:42:03,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2 2026-02-10T11:42:03,085 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2 2026-02-10T11:42:03,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3 2026-02-10T11:42:03,088 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3 2026-02-10T11:42:03,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17 2026-02-10T11:42:03,092 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17 2026-02-10T11:42:03,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22 2026-02-10T11:42:03,095 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22 2026-02-10T11:42:03,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14 2026-02-10T11:42:03,099 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14 2026-02-10T11:42:03,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13 2026-02-10T11:42:03,103 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13 2026-02-10T11:42:03,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H 2026-02-10T11:42:03,106 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H 2026-02-10T11:42:03,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:42:03,109 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:42:03,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS 2026-02-10T11:42:03,112 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS 2026-02-10T11:42:03,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl- 2026-02-10T11:42:03,116 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl- 2026-02-10T11:42:03,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:42:03,119 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:42:03,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S 2026-02-10T11:42:03,122 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S 2026-02-10T11:42:03,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf 2026-02-10T11:42:03,126 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf 2026-02-10T11:42:03,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04 2026-02-10T11:42:03,130 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04 2026-02-10T11:42:03,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3 2026-02-10T11:42:03,133 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3 2026-02-10T11:42:03,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02 2026-02-10T11:42:03,136 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02 2026-02-10T11:42:03,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco 2026-02-10T11:42:03,140 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco 2026-02-10T11:42:03,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16 2026-02-10T11:42:03,143 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16 2026-02-10T11:42:03,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h 2026-02-10T11:42:03,146 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h 2026-02-10T11:42:03,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18 2026-02-10T11:42:03,150 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18 2026-02-10T11:42:03,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:42:03,153 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:42:03,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6 2026-02-10T11:42:03,157 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6 2026-02-10T11:42:03,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts 2026-02-10T11:42:03,160 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts 2026-02-10T11:42:03,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4 2026-02-10T11:42:03,163 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4 2026-02-10T11:42:03,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2 2026-02-10T11:42:03,166 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2 2026-02-10T11:42:03,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11 2026-02-10T11:42:03,170 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11 2026-02-10T11:42:03,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts 2026-02-10T11:42:03,174 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts 2026-02-10T11:42:03,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts 2026-02-10T11:42:03,177 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts 2026-02-10T11:42:03,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01 2026-02-10T11:42:03,181 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01 2026-02-10T11:42:03,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10 2026-02-10T11:42:03,184 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10 2026-02-10T11:42:03,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts 2026-02-10T11:42:03,188 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts 2026-02-10T11:42:03,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH 2026-02-10T11:42:03,191 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH 2026-02-10T11:42:03,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts 2026-02-10T11:42:03,195 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts 2026-02-10T11:42:03,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2 2026-02-10T11:42:03,199 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2 2026-02-10T11:42:03,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5 2026-02-10T11:42:03,203 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5 2026-02-10T11:42:03,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12 2026-02-10T11:42:03,207 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12 2026-02-10T11:42:03,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06 2026-02-10T11:42:03,210 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06 2026-02-10T11:42:03,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh 2026-02-10T11:42:03,213 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh 2026-02-10T11:42:03,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15 2026-02-10T11:42:03,217 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15 2026-02-10T11:42:03,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7 2026-02-10T11:42:03,220 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7 2026-02-10T11:42:03,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O 2026-02-10T11:42:03,223 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O 2026-02-10T11:42:03,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08 2026-02-10T11:42:03,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08 2026-02-10T11:42:03,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts 2026-02-10T11:42:03,232 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts 2026-02-10T11:42:03,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05 2026-02-10T11:42:03,236 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05 2026-02-10T11:42:03,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts 2026-02-10T11:42:03,239 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts 2026-02-10T11:42:03,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f 2026-02-10T11:42:03,243 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f 2026-02-10T11:42:03,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl 2026-02-10T11:42:03,247 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl 2026-02-10T11:42:03,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2 2026-02-10T11:42:03,251 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2 2026-02-10T11:42:03,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts 2026-02-10T11:42:03,256 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts 2026-02-10T11:42:03,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts 2026-02-10T11:42:03,261 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts 2026-02-10T11:42:03,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03 2026-02-10T11:42:03,264 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03 2026-02-10T11:42:03,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts 2026-02-10T11:42:03,268 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts 2026-02-10T11:42:03,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts 2026-02-10T11:42:03,273 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts 2026-02-10T11:42:03,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts 2026-02-10T11:42:03,279 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts 2026-02-10T11:42:03,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2 2026-02-10T11:42:03,282 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2 2026-02-10T11:42:03,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o 2026-02-10T11:42:03,286 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o 2026-02-10T11:42:03,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl 2026-02-10T11:42:03,289 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl 2026-02-10T11:42:03,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f 2026-02-10T11:42:03,293 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f 2026-02-10T11:42:03,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3 2026-02-10T11:42:03,296 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3 2026-02-10T11:42:03,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21 2026-02-10T11:42:03,300 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21 2026-02-10T11:42:03,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn 2026-02-10T11:42:03,303 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn 2026-02-10T11:42:03,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl 2026-02-10T11:42:03,307 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl 2026-02-10T11:42:03,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5 2026-02-10T11:42:03,310 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5 2026-02-10T11:42:03,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH 2026-02-10T11:42:03,314 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH 2026-02-10T11:42:03,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09 2026-02-10T11:42:03,317 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09 2026-02-10T11:42:03,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12 2026-02-10T11:42:03,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL 2026-02-10T11:42:03,323 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL 2026-02-10T11:42:03,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:42:03,327 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:42:03,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:42:03,330 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:42:03,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N 2026-02-10T11:42:03,334 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N 2026-02-10T11:42:03,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:42:03,337 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:42:03,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:42:03,341 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:42:03,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:42:03,345 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:42:03,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:42:03,348 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:42:03,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:42:03,353 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:42:03,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:42:03,357 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:42:03,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:42:03,361 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:42:03,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:42:03,365 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:42:03,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O 2026-02-10T11:42:03,368 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O 2026-02-10T11:42:03,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:42:03,371 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:42:03,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N 2026-02-10T11:42:03,375 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N 2026-02-10T11:42:03,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N 2026-02-10T11:42:03,378 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N 2026-02-10T11:42:03,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:42:03,382 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:42:03,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:42:03,385 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:42:03,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL 2026-02-10T11:42:03,388 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL 2026-02-10T11:42:03,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:42:03,392 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:42:03,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:42:03,395 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:42:03,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:42:03,398 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:42:03,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:42:03,402 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:42:03,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:42:03,405 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:42:03,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL 2026-02-10T11:42:03,409 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL 2026-02-10T11:42:03,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:42:03,412 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:42:03,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O 2026-02-10T11:42:03,416 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O 2026-02-10T11:42:03,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:42:03,420 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:42:03,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O 2026-02-10T11:42:03,424 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O 2026-02-10T11:42:03,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:42:03,429 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:42:03,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:42:03,432 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:42:03,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:42:03,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:42:03,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:42:03,439 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:42:03,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL 2026-02-10T11:42:03,442 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL 2026-02-10T11:42:03,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N 2026-02-10T11:42:03,446 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N 2026-02-10T11:42:03,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O 2026-02-10T11:42:03,449 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O 2026-02-10T11:42:03,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43 2026-02-10T11:42:03,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37 2026-02-10T11:42:03,456 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37 2026-02-10T11:42:03,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41 2026-02-10T11:42:03,459 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41 2026-02-10T11:42:03,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25 2026-02-10T11:42:03,464 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25 2026-02-10T11:42:03,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39 2026-02-10T11:42:03,469 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39 2026-02-10T11:42:03,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45 2026-02-10T11:42:03,474 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45 2026-02-10T11:42:03,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24 2026-02-10T11:42:03,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24 2026-02-10T11:42:03,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23 2026-02-10T11:42:03,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23 2026-02-10T11:42:03,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19 2026-02-10T11:42:03,484 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19 2026-02-10T11:42:03,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21 2026-02-10T11:42:03,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21 2026-02-10T11:42:03,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45 2026-02-10T11:42:03,490 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45 2026-02-10T11:42:03,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26 2026-02-10T11:42:03,494 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26 2026-02-10T11:42:03,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40 2026-02-10T11:42:03,498 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40 2026-02-10T11:42:03,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44 2026-02-10T11:42:03,501 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44 2026-02-10T11:42:03,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37 2026-02-10T11:42:03,505 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37 2026-02-10T11:42:03,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9 2026-02-10T11:42:03,508 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9 2026-02-10T11:42:03,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3 2026-02-10T11:42:03,511 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3 2026-02-10T11:42:03,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6 2026-02-10T11:42:03,515 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6 2026-02-10T11:42:03,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4 2026-02-10T11:42:03,518 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4 2026-02-10T11:42:03,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20 2026-02-10T11:42:03,521 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20 2026-02-10T11:42:03,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27 2026-02-10T11:42:03,524 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27 2026-02-10T11:42:03,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43 2026-02-10T11:42:03,528 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43 2026-02-10T11:42:03,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6 2026-02-10T11:42:03,531 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6 2026-02-10T11:42:03,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36 2026-02-10T11:42:03,534 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36 2026-02-10T11:42:03,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26 2026-02-10T11:42:03,538 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26 2026-02-10T11:42:03,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36 2026-02-10T11:42:03,545 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36 2026-02-10T11:42:03,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30 2026-02-10T11:42:03,549 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30 2026-02-10T11:42:03,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22 2026-02-10T11:42:03,552 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22 2026-02-10T11:42:03,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10 2026-02-10T11:42:03,556 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10 2026-02-10T11:42:03,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20 2026-02-10T11:42:03,559 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20 2026-02-10T11:42:03,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11 2026-02-10T11:42:03,562 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11 2026-02-10T11:42:03,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7 2026-02-10T11:42:03,566 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7 2026-02-10T11:42:03,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34 2026-02-10T11:42:03,570 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34 2026-02-10T11:42:03,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7 2026-02-10T11:42:03,574 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7 2026-02-10T11:42:03,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32 2026-02-10T11:42:03,578 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32 2026-02-10T11:42:03,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30 2026-02-10T11:42:03,581 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30 2026-02-10T11:42:03,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44 2026-02-10T11:42:03,585 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44 2026-02-10T11:42:03,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42 2026-02-10T11:42:03,588 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42 2026-02-10T11:42:03,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1 2026-02-10T11:42:03,592 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1 2026-02-10T11:42:03,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12 2026-02-10T11:42:03,595 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12 2026-02-10T11:42:03,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4 2026-02-10T11:42:03,599 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4 2026-02-10T11:42:03,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43 2026-02-10T11:42:03,602 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43 2026-02-10T11:42:03,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15 2026-02-10T11:42:03,606 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15 2026-02-10T11:42:03,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15 2026-02-10T11:42:03,610 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15 2026-02-10T11:42:03,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2 2026-02-10T11:42:03,613 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2 2026-02-10T11:42:03,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22 2026-02-10T11:42:03,617 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22 2026-02-10T11:42:03,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23 2026-02-10T11:42:03,620 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23 2026-02-10T11:42:03,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38 2026-02-10T11:42:03,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38 2026-02-10T11:42:03,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24 2026-02-10T11:42:03,627 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24 2026-02-10T11:42:03,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16 2026-02-10T11:42:03,630 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16 2026-02-10T11:42:03,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34 2026-02-10T11:42:03,634 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34 2026-02-10T11:42:03,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10 2026-02-10T11:42:03,638 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10 2026-02-10T11:42:03,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17 2026-02-10T11:42:03,642 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17 2026-02-10T11:42:03,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17 2026-02-10T11:42:03,646 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17 2026-02-10T11:42:03,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3 2026-02-10T11:42:03,650 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3 2026-02-10T11:42:03,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35 2026-02-10T11:42:03,654 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35 2026-02-10T11:42:03,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21 2026-02-10T11:42:03,658 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21 2026-02-10T11:42:03,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27 2026-02-10T11:42:03,662 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27 2026-02-10T11:42:03,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13 2026-02-10T11:42:03,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13 2026-02-10T11:42:03,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5 2026-02-10T11:42:03,670 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5 2026-02-10T11:42:03,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31 2026-02-10T11:42:03,673 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31 2026-02-10T11:42:03,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35 2026-02-10T11:42:03,677 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35 2026-02-10T11:42:03,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8 2026-02-10T11:42:03,681 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8 2026-02-10T11:42:03,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29 2026-02-10T11:42:03,685 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29 2026-02-10T11:42:03,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1 2026-02-10T11:42:03,688 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1 2026-02-10T11:42:03,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2 2026-02-10T11:42:03,691 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2 2026-02-10T11:42:03,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42 2026-02-10T11:42:03,694 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42 2026-02-10T11:42:03,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5 2026-02-10T11:42:03,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5 2026-02-10T11:42:03,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33 2026-02-10T11:42:03,701 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33 2026-02-10T11:42:03,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38 2026-02-10T11:42:03,705 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38 2026-02-10T11:42:03,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31 2026-02-10T11:42:03,708 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31 2026-02-10T11:42:03,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33 2026-02-10T11:42:03,711 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33 2026-02-10T11:42:03,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16 2026-02-10T11:42:03,715 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16 2026-02-10T11:42:03,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9 2026-02-10T11:42:03,719 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9 2026-02-10T11:42:03,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11 2026-02-10T11:42:03,723 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11 2026-02-10T11:42:03,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12 2026-02-10T11:42:03,727 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12 2026-02-10T11:42:03,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8 2026-02-10T11:42:03,731 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8 2026-02-10T11:42:03,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29 2026-02-10T11:42:03,734 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29 2026-02-10T11:42:03,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25 2026-02-10T11:42:03,738 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25 2026-02-10T11:42:03,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13 2026-02-10T11:42:03,741 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13 2026-02-10T11:42:03,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40 2026-02-10T11:42:03,745 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40 2026-02-10T11:42:03,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28 2026-02-10T11:42:03,748 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28 2026-02-10T11:42:03,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18 2026-02-10T11:42:03,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18 2026-02-10T11:42:03,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41 2026-02-10T11:42:03,755 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41 2026-02-10T11:42:03,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19 2026-02-10T11:42:03,759 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19 2026-02-10T11:42:03,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18 2026-02-10T11:42:03,763 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18 2026-02-10T11:42:03,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39 2026-02-10T11:42:03,767 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39 2026-02-10T11:42:03,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32 2026-02-10T11:42:03,771 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32 2026-02-10T11:42:03,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28 2026-02-10T11:42:03,775 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28 2026-02-10T11:42:03,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10 2026-02-10T11:42:03,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo 2026-02-10T11:42:03,781 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo 2026-02-10T11:42:03,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef 2026-02-10T11:42:03,785 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef 2026-02-10T11:42:03,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:42:03,788 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:42:03,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o 2026-02-10T11:42:03,791 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o 2026-02-10T11:42:03,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be 2026-02-10T11:42:03,795 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be 2026-02-10T11:42:03,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na 2026-02-10T11:42:03,798 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na 2026-02-10T11:42:03,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf 2026-02-10T11:42:03,802 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf 2026-02-10T11:42:03,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao 2026-02-10T11:42:03,805 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao 2026-02-10T11:42:03,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h 2026-02-10T11:42:03,809 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h 2026-02-10T11:42:03,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca 2026-02-10T11:42:03,812 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca 2026-02-10T11:42:03,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li 2026-02-10T11:42:03,816 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li 2026-02-10T11:42:03,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s 2026-02-10T11:42:03,820 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s 2026-02-10T11:42:03,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k 2026-02-10T11:42:03,823 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k 2026-02-10T11:42:03,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg 2026-02-10T11:42:03,827 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg 2026-02-10T11:42:03,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf 2026-02-10T11:42:03,830 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf 2026-02-10T11:42:03,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f 2026-02-10T11:42:03,834 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f 2026-02-10T11:42:03,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:42:03,838 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:42:03,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao 2026-02-10T11:42:03,842 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao 2026-02-10T11:42:03,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio 2026-02-10T11:42:03,846 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio 2026-02-10T11:42:03,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif 2026-02-10T11:42:03,849 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif 2026-02-10T11:42:03,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC 2026-02-10T11:42:03,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1 2026-02-10T11:42:03,855 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1 2026-02-10T11:42:03,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128 2026-02-10T11:42:03,858 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128 2026-02-10T11:42:03,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18 2026-02-10T11:42:03,862 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18 2026-02-10T11:42:03,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117 2026-02-10T11:42:03,866 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117 2026-02-10T11:42:03,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97 2026-02-10T11:42:03,869 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97 2026-02-10T11:42:03,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34 2026-02-10T11:42:03,872 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34 2026-02-10T11:42:03,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13 2026-02-10T11:42:03,876 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13 2026-02-10T11:42:03,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126 2026-02-10T11:42:03,880 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126 2026-02-10T11:42:03,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94 2026-02-10T11:42:03,883 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94 2026-02-10T11:42:03,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62 2026-02-10T11:42:03,887 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62 2026-02-10T11:42:03,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82 2026-02-10T11:42:03,890 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82 2026-02-10T11:42:03,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45 2026-02-10T11:42:03,894 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45 2026-02-10T11:42:03,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104 2026-02-10T11:42:03,897 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104 2026-02-10T11:42:03,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66 2026-02-10T11:42:03,902 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66 2026-02-10T11:42:03,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61 2026-02-10T11:42:03,905 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61 2026-02-10T11:42:03,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118 2026-02-10T11:42:03,909 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118 2026-02-10T11:42:03,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59 2026-02-10T11:42:03,912 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59 2026-02-10T11:42:03,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73 2026-02-10T11:42:03,916 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73 2026-02-10T11:42:03,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100 2026-02-10T11:42:03,919 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100 2026-02-10T11:42:03,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88 2026-02-10T11:42:03,923 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88 2026-02-10T11:42:03,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25 2026-02-10T11:42:03,926 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25 2026-02-10T11:42:03,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30 2026-02-10T11:42:03,930 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30 2026-02-10T11:42:03,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67 2026-02-10T11:42:03,933 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67 2026-02-10T11:42:03,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57 2026-02-10T11:42:03,936 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57 2026-02-10T11:42:03,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56 2026-02-10T11:42:03,940 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56 2026-02-10T11:42:03,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22 2026-02-10T11:42:03,944 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22 2026-02-10T11:42:03,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23 2026-02-10T11:42:03,947 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23 2026-02-10T11:42:03,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47 2026-02-10T11:42:03,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47 2026-02-10T11:42:03,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26 2026-02-10T11:42:03,956 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26 2026-02-10T11:42:03,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6 2026-02-10T11:42:03,960 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6 2026-02-10T11:42:03,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40 2026-02-10T11:42:03,963 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40 2026-02-10T11:42:03,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51 2026-02-10T11:42:03,967 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51 2026-02-10T11:42:03,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11 2026-02-10T11:42:03,970 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11 2026-02-10T11:42:03,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32 2026-02-10T11:42:03,973 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32 2026-02-10T11:42:03,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106 2026-02-10T11:42:03,977 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106 2026-02-10T11:42:03,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24 2026-02-10T11:42:03,981 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24 2026-02-10T11:42:03,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121 2026-02-10T11:42:03,984 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121 2026-02-10T11:42:03,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21 2026-02-10T11:42:03,987 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21 2026-02-10T11:42:03,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60 2026-02-10T11:42:03,991 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60 2026-02-10T11:42:03,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52 2026-02-10T11:42:03,994 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52 2026-02-10T11:42:04,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39 2026-02-10T11:42:04,012 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39 2026-02-10T11:42:04,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113 2026-02-10T11:42:04,018 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113 2026-02-10T11:42:04,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14 2026-02-10T11:42:04,022 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14 2026-02-10T11:42:04,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33 2026-02-10T11:42:04,025 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33 2026-02-10T11:42:04,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68 2026-02-10T11:42:04,029 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68 2026-02-10T11:42:04,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58 2026-02-10T11:42:04,032 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58 2026-02-10T11:42:04,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8 2026-02-10T11:42:04,035 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8 2026-02-10T11:42:04,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51 2026-02-10T11:42:04,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane 2026-02-10T11:42:04,044 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane 2026-02-10T11:42:04,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:42:04,049 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:42:04,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran 2026-02-10T11:42:04,052 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran 2026-02-10T11:42:04,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:42:04,056 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 2026-02-10T11:42:04,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:42:04,059 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:42:04,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran 2026-02-10T11:42:04,064 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran 2026-02-10T11:42:04,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:42:04,068 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:42:04,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene 2026-02-10T11:42:04,072 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene 2026-02-10T11:42:04,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene 2026-02-10T11:42:04,076 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene 2026-02-10T11:42:04,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne 2026-02-10T11:42:04,079 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne 2026-02-10T11:42:04,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN 2026-02-10T11:42:04,083 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN 2026-02-10T11:42:04,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:42:04,087 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 2026-02-10T11:42:04,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane 2026-02-10T11:42:04,090 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane 2026-02-10T11:42:04,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2 2026-02-10T11:42:04,094 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2 2026-02-10T11:42:04,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol 2026-02-10T11:42:04,097 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol 2026-02-10T11:42:04,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:42:04,101 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:42:04,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O 2026-02-10T11:42:04,104 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O 2026-02-10T11:42:04,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:42:04,108 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 2026-02-10T11:42:04,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:42:04,112 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:42:04,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole 2026-02-10T11:42:04,115 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole 2026-02-10T11:42:04,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:42:04,119 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 2026-02-10T11:42:04,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:42:04,123 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:42:04,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:42:04,126 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:42:04,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione 2026-02-10T11:42:04,129 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione 2026-02-10T11:42:04,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN 2026-02-10T11:42:04,135 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN 2026-02-10T11:42:04,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene 2026-02-10T11:42:04,139 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene 2026-02-10T11:42:04,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:42:04,144 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:42:04,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol 2026-02-10T11:42:04,148 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol 2026-02-10T11:42:04,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S 2026-02-10T11:42:04,151 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S 2026-02-10T11:42:04,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:42:04,155 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:42:04,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO 2026-02-10T11:42:04,160 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO 2026-02-10T11:42:04,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:42:04,163 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:42:04,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:42:04,167 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:42:04,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:42:04,170 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:42:04,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine 2026-02-10T11:42:04,174 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine 2026-02-10T11:42:04,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2 2026-02-10T11:42:04,178 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2 2026-02-10T11:42:04,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:42:04,181 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:42:04,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO 2026-02-10T11:42:04,184 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO 2026-02-10T11:42:04,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:42:04,188 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:42:04,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:42:04,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:42:04,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:42:04,195 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:42:04,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene 2026-02-10T11:42:04,199 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene 2026-02-10T11:42:04,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane 2026-02-10T11:42:04,202 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane 2026-02-10T11:42:04,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:42:04,207 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 2026-02-10T11:42:04,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:42:04,211 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:42:04,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:42:04,214 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:42:04,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2 2026-02-10T11:42:04,218 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2 2026-02-10T11:42:04,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne 2026-02-10T11:42:04,221 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne 2026-02-10T11:42:04,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne 2026-02-10T11:42:04,225 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne 2026-02-10T11:42:04,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:42:04,228 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:42:04,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene 2026-02-10T11:42:04,232 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene 2026-02-10T11:42:04,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:42:04,236 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 2026-02-10T11:42:04,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine 2026-02-10T11:42:04,239 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine 2026-02-10T11:42:04,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:42:04,242 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:42:04,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene 2026-02-10T11:42:04,246 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene 2026-02-10T11:42:04,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:42:04,250 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:42:04,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:42:04,253 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:42:04,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:42:04,257 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:42:04,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:42:04,260 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:42:04,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl 2026-02-10T11:42:04,264 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl 2026-02-10T11:42:04,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:42:04,267 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:42:04,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:42:04,271 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:42:04,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne 2026-02-10T11:42:04,275 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne 2026-02-10T11:42:04,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:42:04,278 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:42:04,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol 2026-02-10T11:42:04,282 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol 2026-02-10T11:42:04,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2 2026-02-10T11:42:04,285 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2 2026-02-10T11:42:04,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene 2026-02-10T11:42:04,289 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene 2026-02-10T11:42:04,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:42:04,292 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:42:04,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O 2026-02-10T11:42:04,296 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O 2026-02-10T11:42:04,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:42:04,299 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 2026-02-10T11:42:04,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:42:04,303 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 2026-02-10T11:42:04,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene 2026-02-10T11:42:04,306 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene 2026-02-10T11:42:04,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane 2026-02-10T11:42:04,310 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane 2026-02-10T11:42:04,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:42:04,313 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:42:04,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:42:04,317 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:42:04,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:42:04,321 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 2026-02-10T11:42:04,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH 2026-02-10T11:42:04,325 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH 2026-02-10T11:42:04,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol 2026-02-10T11:42:04,328 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol 2026-02-10T11:42:04,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2 2026-02-10T11:42:04,331 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2 2026-02-10T11:42:04,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:42:04,336 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:42:04,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:42:04,339 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:42:04,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:42:04,343 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 2026-02-10T11:42:04,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:42:04,346 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:42:04,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3 2026-02-10T11:42:04,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3 2026-02-10T11:42:04,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:42:04,353 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:42:04,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:42:04,357 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:42:04,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:42:04,362 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 2026-02-10T11:42:04,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11 2026-02-10T11:42:04,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:42:04,368 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:42:04,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:42:04,371 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:42:04,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:42:04,375 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:42:04,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:42:04,378 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:42:04,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br 2026-02-10T11:42:04,381 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br 2026-02-10T11:42:04,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:42:04,385 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:42:04,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:42:04,388 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:42:04,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:42:04,391 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:42:04,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:42:04,395 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:42:04,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:42:04,398 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:42:04,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:42:04,401 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:42:04,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:42:04,405 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:42:04,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:42:04,408 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:42:04,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:42:04,411 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:42:04,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:42:04,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:42:04,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:42:04,418 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:42:04,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:42:04,421 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:42:04,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:42:04,425 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:42:04,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:42:04,428 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:42:04,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:42:04,432 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:42:04,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:42:04,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:42:04,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:42:04,439 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:42:04,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10 2026-02-10T11:42:04,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:42:04,445 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:42:04,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:42:04,449 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:42:04,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:42:04,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:42:04,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s 2026-02-10T11:42:04,457 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s 2026-02-10T11:42:04,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3 2026-02-10T11:42:04,460 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3 2026-02-10T11:42:04,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:42:04,463 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:42:04,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:42:04,467 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:42:04,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be 2026-02-10T11:42:04,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be 2026-02-10T11:42:04,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:42:04,474 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:42:04,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:42:04,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:42:04,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:42:04,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:42:04,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3 2026-02-10T11:42:04,483 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3 2026-02-10T11:42:04,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:42:04,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:42:04,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg 2026-02-10T11:42:04,490 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg 2026-02-10T11:42:04,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:42:04,493 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:42:04,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:42:04,497 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:42:04,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:42:04,500 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:42:04,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:42:04,504 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:42:04,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:42:04,507 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:42:04,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:42:04,510 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:42:04,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF 2026-02-10T11:42:04,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:42:04,516 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:42:04,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1 2026-02-10T11:42:04,519 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1 2026-02-10T11:42:04,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:42:04,522 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:42:04,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:42:04,526 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:42:04,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:42:04,529 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:42:04,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:42:04,532 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:42:04,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:42:04,536 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:42:04,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:42:04,539 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:42:04,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:42:04,542 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:42:04,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:42:04,546 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:42:04,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:42:04,549 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:42:04,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:42:04,553 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:42:04,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:42:04,556 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:42:04,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:42:04,560 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:42:04,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:42:04,563 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:42:04,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:42:04,567 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:42:04,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2 2026-02-10T11:42:04,570 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2 2026-02-10T11:42:04,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:42:04,573 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:42:04,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:42:04,577 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:42:04,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:42:04,581 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:42:04,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:42:04,584 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:42:04,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:42:04,588 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:42:04,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:42:04,591 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:42:04,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:42:04,595 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:42:04,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:42:04,599 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:42:04,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:42:04,602 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:42:04,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:42:04,606 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:42:04,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13 2026-02-10T11:42:04,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2 2026-02-10T11:42:04,612 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2 2026-02-10T11:42:04,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:42:04,616 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 2026-02-10T11:42:04,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:42:04,620 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 2026-02-10T11:42:04,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2 2026-02-10T11:42:04,623 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2 2026-02-10T11:42:04,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4 2026-02-10T11:42:04,627 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4 2026-02-10T11:42:04,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3 2026-02-10T11:42:04,630 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3 2026-02-10T11:42:04,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4 2026-02-10T11:42:04,634 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4 2026-02-10T11:42:04,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:42:04,637 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 2026-02-10T11:42:04,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:42:04,641 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 2026-02-10T11:42:04,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3 2026-02-10T11:42:04,645 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3 2026-02-10T11:42:04,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:42:04,648 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 2026-02-10T11:42:04,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5 2026-02-10T11:42:04,652 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5 2026-02-10T11:42:04,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:42:04,655 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 2026-02-10T11:42:04,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf 2026-02-10T11:42:04,659 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf 2026-02-10T11:42:04,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:42:04,663 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 2026-02-10T11:42:04,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:42:04,667 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 2026-02-10T11:42:04,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:42:04,671 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 2026-02-10T11:42:04,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6 2026-02-10T11:42:04,675 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6 2026-02-10T11:42:04,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4 2026-02-10T11:42:04,679 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4 2026-02-10T11:42:04,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o 2026-02-10T11:42:04,682 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o 2026-02-10T11:42:04,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6 2026-02-10T11:42:04,686 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6 2026-02-10T11:42:04,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:42:04,689 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 2026-02-10T11:42:04,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3 2026-02-10T11:42:04,693 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3 2026-02-10T11:42:04,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:42:04,697 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 2026-02-10T11:42:04,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:42:04,701 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 2026-02-10T11:42:04,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5 2026-02-10T11:42:04,704 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5 2026-02-10T11:42:04,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2 2026-02-10T11:42:04,708 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2 2026-02-10T11:42:04,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3 2026-02-10T11:42:04,712 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3 2026-02-10T11:42:04,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:42:04,716 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 2026-02-10T11:42:04,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28 2026-02-10T11:42:04,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:42:04,722 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:42:04,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:42:04,726 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:42:04,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:42:04,729 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:42:04,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s 2026-02-10T11:42:04,733 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s 2026-02-10T11:42:04,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3 2026-02-10T11:42:04,737 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3 2026-02-10T11:42:04,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:42:04,741 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:42:04,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:42:04,745 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:42:04,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:42:04,748 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:42:04,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:42:04,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:42:04,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:42:04,756 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:42:04,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:42:04,761 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:42:04,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:42:04,764 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:42:04,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o 2026-02-10T11:42:04,768 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o 2026-02-10T11:42:04,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:42:04,772 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:42:04,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi 2026-02-10T11:42:04,776 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi 2026-02-10T11:42:04,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:42:04,780 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:42:04,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:42:04,783 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:42:04,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:42:04,787 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:42:04,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:42:04,790 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:42:04,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:42:04,794 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:42:04,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:42:04,797 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:42:04,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:42:04,801 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:42:04,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr 2026-02-10T11:42:04,804 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr 2026-02-10T11:42:04,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:42:04,808 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:42:04,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:42:04,811 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:42:04,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3 2026-02-10T11:42:04,815 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3 2026-02-10T11:42:04,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:42:04,819 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:42:04,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:42:04,823 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:42:04,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:42:04,827 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:42:04,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:42:04,830 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:42:04,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl 2026-02-10T11:42:04,834 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl 2026-02-10T11:42:04,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:42:04,837 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:42:04,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:42:04,841 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:42:04,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:42:04,844 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:42:04,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:42:04,847 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:42:04,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:42:04,851 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:42:04,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:42:04,855 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:42:04,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2 2026-02-10T11:42:04,859 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2 2026-02-10T11:42:04,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP 2026-02-10T11:42:04,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2 2026-02-10T11:42:04,865 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2 2026-02-10T11:42:04,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l 2026-02-10T11:42:04,869 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l 2026-02-10T11:42:04,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f 2026-02-10T11:42:04,872 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f 2026-02-10T11:42:04,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1 2026-02-10T11:42:04,877 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1 2026-02-10T11:42:04,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant 2026-02-10T11:42:04,880 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant 2026-02-10T11:42:04,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2 2026-02-10T11:42:04,884 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2 2026-02-10T11:42:04,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l 2026-02-10T11:42:04,887 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l 2026-02-10T11:42:04,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene 2026-02-10T11:42:04,891 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene 2026-02-10T11:42:04,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22 2026-02-10T11:42:04,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22 2026-02-10T11:42:04,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1 2026-02-10T11:42:04,900 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1 2026-02-10T11:42:04,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f 2026-02-10T11:42:04,905 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f 2026-02-10T11:42:04,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer 2026-02-10T11:42:04,910 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer 2026-02-10T11:42:04,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2 2026-02-10T11:42:04,913 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2 2026-02-10T11:42:04,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24 2026-02-10T11:42:04,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:42:04,919 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 2026-02-10T11:42:04,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:42:04,923 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:42:04,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:42:04,927 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:42:04,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:42:04,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:42:04,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:42:04,934 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:42:04,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:42:04,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:42:04,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3 2026-02-10T11:42:04,942 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3 2026-02-10T11:42:04,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2 2026-02-10T11:42:04,946 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2 2026-02-10T11:42:04,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:42:04,949 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:42:04,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:42:04,953 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:42:04,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3 2026-02-10T11:42:04,957 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3 2026-02-10T11:42:04,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS 2026-02-10T11:42:04,961 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS 2026-02-10T11:42:04,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:42:04,964 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:42:04,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:42:04,967 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:42:04,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O 2026-02-10T11:42:04,971 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O 2026-02-10T11:42:04,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3 2026-02-10T11:42:04,975 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3 2026-02-10T11:42:04,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3 2026-02-10T11:42:04,978 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3 2026-02-10T11:42:04,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:42:04,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:42:04,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether 2026-02-10T11:42:04,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether 2026-02-10T11:42:04,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph 2026-02-10T11:42:04,990 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph 2026-02-10T11:42:04,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S 2026-02-10T11:42:04,994 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S 2026-02-10T11:42:04,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:42:04,998 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 2026-02-10T11:42:05,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:42:05,002 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:42:05,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:42:05,006 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:42:05,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:42:05,010 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:42:05,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:42:05,014 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:42:05,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:42:05,018 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:42:05,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:42:05,022 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:42:05,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:42:05,026 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:42:05,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS 2026-02-10T11:42:05,030 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS 2026-02-10T11:42:05,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether 2026-02-10T11:42:05,033 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether 2026-02-10T11:42:05,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:42:05,037 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:42:05,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:42:05,041 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:42:05,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:42:05,044 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:42:05,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:42:05,048 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:42:05,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:42:05,051 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:42:05,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3 2026-02-10T11:42:05,055 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3 2026-02-10T11:42:05,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:42:05,058 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:42:05,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene 2026-02-10T11:42:05,062 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene 2026-02-10T11:42:05,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:42:05,065 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:42:05,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene 2026-02-10T11:42:05,069 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene 2026-02-10T11:42:05,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:42:05,073 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:42:05,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS 2026-02-10T11:42:05,078 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS 2026-02-10T11:42:05,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:42:05,083 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:42:05,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:42:05,088 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:42:05,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:42:05,091 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:42:05,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:42:05,095 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:42:05,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS 2026-02-10T11:42:05,098 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS 2026-02-10T11:42:05,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23 2026-02-10T11:42:05,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b 2026-02-10T11:42:05,104 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b 2026-02-10T11:42:05,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1 2026-02-10T11:42:05,109 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1 2026-02-10T11:42:05,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b 2026-02-10T11:42:05,116 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b 2026-02-10T11:42:05,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a 2026-02-10T11:42:05,120 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a 2026-02-10T11:42:05,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b 2026-02-10T11:42:05,124 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b 2026-02-10T11:42:05,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b 2026-02-10T11:42:05,128 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b 2026-02-10T11:42:05,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4 2026-02-10T11:42:05,132 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4 2026-02-10T11:42:05,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b 2026-02-10T11:42:05,135 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b 2026-02-10T11:42:05,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b 2026-02-10T11:42:05,139 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b 2026-02-10T11:42:05,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12 2026-02-10T11:42:05,142 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12 2026-02-10T11:42:05,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a 2026-02-10T11:42:05,146 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a 2026-02-10T11:42:05,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a 2026-02-10T11:42:05,149 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a 2026-02-10T11:42:05,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a 2026-02-10T11:42:05,152 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a 2026-02-10T11:42:05,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b 2026-02-10T11:42:05,156 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b 2026-02-10T11:42:05,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18 2026-02-10T11:42:05,159 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18 2026-02-10T11:42:05,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13 2026-02-10T11:42:05,163 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13 2026-02-10T11:42:05,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b 2026-02-10T11:42:05,166 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b 2026-02-10T11:42:05,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b 2026-02-10T11:42:05,170 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b 2026-02-10T11:42:05,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a 2026-02-10T11:42:05,173 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a 2026-02-10T11:42:05,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b 2026-02-10T11:42:05,177 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b 2026-02-10T11:42:05,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b 2026-02-10T11:42:05,180 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b 2026-02-10T11:42:05,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20 2026-02-10T11:42:05,183 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20 2026-02-10T11:42:05,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a 2026-02-10T11:42:05,187 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a 2026-02-10T11:42:05,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b 2026-02-10T11:42:05,191 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b 2026-02-10T11:42:05,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a 2026-02-10T11:42:05,196 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a 2026-02-10T11:42:05,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3 2026-02-10T11:42:05,200 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3 2026-02-10T11:42:05,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b 2026-02-10T11:42:05,203 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b 2026-02-10T11:42:05,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a 2026-02-10T11:42:05,206 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a 2026-02-10T11:42:05,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16 2026-02-10T11:42:05,210 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16 2026-02-10T11:42:05,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a 2026-02-10T11:42:05,213 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a 2026-02-10T11:42:05,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b 2026-02-10T11:42:05,217 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b 2026-02-10T11:42:05,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9 2026-02-10T11:42:05,220 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9 2026-02-10T11:42:05,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22 2026-02-10T11:42:05,224 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22 2026-02-10T11:42:05,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7 2026-02-10T11:42:05,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7 2026-02-10T11:42:05,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23 2026-02-10T11:42:05,231 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23 2026-02-10T11:42:05,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a 2026-02-10T11:42:05,234 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a 2026-02-10T11:42:05,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b 2026-02-10T11:42:05,238 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b 2026-02-10T11:42:05,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10 2026-02-10T11:42:05,241 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10 2026-02-10T11:42:05,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b 2026-02-10T11:42:05,245 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b 2026-02-10T11:42:05,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a 2026-02-10T11:42:05,248 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a 2026-02-10T11:42:05,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a 2026-02-10T11:42:05,252 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a 2026-02-10T11:42:05,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a 2026-02-10T11:42:05,255 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a 2026-02-10T11:42:05,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a 2026-02-10T11:42:05,259 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a 2026-02-10T11:42:05,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a 2026-02-10T11:42:05,263 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a 2026-02-10T11:42:05,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6 2026-02-10T11:42:05,267 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6 2026-02-10T11:42:05,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b 2026-02-10T11:42:05,271 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b 2026-02-10T11:42:05,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b 2026-02-10T11:42:05,276 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b 2026-02-10T11:42:05,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b 2026-02-10T11:42:05,280 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b 2026-02-10T11:42:05,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a 2026-02-10T11:42:05,284 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a 2026-02-10T11:42:05,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a 2026-02-10T11:42:05,288 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a 2026-02-10T11:42:05,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11 2026-02-10T11:42:05,292 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11 2026-02-10T11:42:05,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5 2026-02-10T11:42:05,296 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5 2026-02-10T11:42:05,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b 2026-02-10T11:42:05,301 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b 2026-02-10T11:42:05,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15 2026-02-10T11:42:05,305 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15 2026-02-10T11:42:05,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a 2026-02-10T11:42:05,309 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a 2026-02-10T11:42:05,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17 2026-02-10T11:42:05,314 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17 2026-02-10T11:42:05,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a 2026-02-10T11:42:05,319 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a 2026-02-10T11:42:05,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21 2026-02-10T11:42:05,322 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21 2026-02-10T11:42:05,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a 2026-02-10T11:42:05,326 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a 2026-02-10T11:42:05,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a 2026-02-10T11:42:05,330 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a 2026-02-10T11:42:05,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b 2026-02-10T11:42:05,335 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b 2026-02-10T11:42:05,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b 2026-02-10T11:42:05,343 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b 2026-02-10T11:42:05,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2 2026-02-10T11:42:05,347 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2 2026-02-10T11:42:05,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14 2026-02-10T11:42:05,351 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14 2026-02-10T11:42:05,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b 2026-02-10T11:42:05,355 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b 2026-02-10T11:42:05,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19 2026-02-10T11:42:05,360 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19 2026-02-10T11:42:05,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a 2026-02-10T11:42:05,366 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a 2026-02-10T11:42:05,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a 2026-02-10T11:42:05,372 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a 2026-02-10T11:42:05,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8 2026-02-10T11:42:05,377 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8 2026-02-10T11:42:05,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11 2026-02-10T11:42:05,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic 2026-02-10T11:42:05,386 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic 2026-02-10T11:42:05,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of 2026-02-10T11:42:05,390 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of 2026-02-10T11:42:05,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo 2026-02-10T11:42:05,393 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo 2026-02-10T11:42:05,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4 2026-02-10T11:42:05,397 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4 2026-02-10T11:42:05,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh 2026-02-10T11:42:05,401 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh 2026-02-10T11:42:05,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc 2026-02-10T11:42:05,405 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc 2026-02-10T11:42:05,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh 2026-02-10T11:42:05,410 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh 2026-02-10T11:42:05,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic 2026-02-10T11:42:05,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic 2026-02-10T11:42:05,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal 2026-02-10T11:42:05,420 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal 2026-02-10T11:42:05,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof 2026-02-10T11:42:05,427 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof 2026-02-10T11:42:05,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono 2026-02-10T11:42:05,642 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 2026-02-10T11:42:05,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene 2026-02-10T11:42:05,646 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene 2026-02-10T11:42:05,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:42:05,651 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:42:05,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:42:05,655 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:42:05,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2 2026-02-10T11:42:05,659 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2 2026-02-10T11:42:05,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh 2026-02-10T11:42:05,664 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh 2026-02-10T11:42:05,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf 2026-02-10T11:42:05,668 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf 2026-02-10T11:42:05,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2 2026-02-10T11:42:05,673 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2 2026-02-10T11:42:05,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2 2026-02-10T11:42:05,677 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2 2026-02-10T11:42:05,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof 2026-02-10T11:42:05,681 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof 2026-02-10T11:42:05,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf 2026-02-10T11:42:05,686 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf 2026-02-10T11:42:05,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s 2026-02-10T11:42:05,690 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s 2026-02-10T11:42:05,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf 2026-02-10T11:42:05,695 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf 2026-02-10T11:42:05,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co 2026-02-10T11:42:05,699 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co 2026-02-10T11:42:05,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3 2026-02-10T11:42:05,703 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3 2026-02-10T11:42:05,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3 2026-02-10T11:42:05,708 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3 2026-02-10T11:42:05,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn 2026-02-10T11:42:05,712 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn 2026-02-10T11:42:05,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol 2026-02-10T11:42:05,716 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol 2026-02-10T11:42:05,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh 2026-02-10T11:42:05,721 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh 2026-02-10T11:42:05,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2 2026-02-10T11:42:05,725 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2 2026-02-10T11:42:05,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol 2026-02-10T11:42:05,729 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol 2026-02-10T11:42:05,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2 2026-02-10T11:42:05,733 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2 2026-02-10T11:42:05,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f 2026-02-10T11:42:05,737 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f 2026-02-10T11:42:05,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6 2026-02-10T11:42:05,742 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6 2026-02-10T11:42:05,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4 2026-02-10T11:42:05,746 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4 2026-02-10T11:42:05,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs 2026-02-10T11:42:05,750 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs 2026-02-10T11:42:05,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn 2026-02-10T11:42:05,755 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn 2026-02-10T11:42:05,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3 2026-02-10T11:42:05,759 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3 2026-02-10T11:42:05,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b 2026-02-10T11:42:05,763 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b 2026-02-10T11:42:05,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2 2026-02-10T11:42:05,767 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2 2026-02-10T11:42:05,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2 2026-02-10T11:42:05,771 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2 2026-02-10T11:42:05,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl 2026-02-10T11:42:05,774 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl 2026-02-10T11:42:05,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh 2026-02-10T11:42:05,778 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh 2026-02-10T11:42:05,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:42:05,781 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 2026-02-10T11:42:05,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o 2026-02-10T11:42:05,784 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o 2026-02-10T11:42:05,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4 2026-02-10T11:42:05,788 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4 2026-02-10T11:42:05,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:42:05,791 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 2026-02-10T11:42:05,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6 2026-02-10T11:42:05,795 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6 2026-02-10T11:42:05,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno 2026-02-10T11:42:05,799 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno 2026-02-10T11:42:05,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2 2026-02-10T11:42:05,802 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2 2026-02-10T11:42:05,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo 2026-02-10T11:42:05,806 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo 2026-02-10T11:42:05,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn 2026-02-10T11:42:05,809 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn 2026-02-10T11:42:05,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne 2026-02-10T11:42:05,813 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne 2026-02-10T11:42:05,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2 2026-02-10T11:42:05,816 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2 2026-02-10T11:42:05,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o 2026-02-10T11:42:05,820 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o 2026-02-10T11:42:05,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:42:05,823 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 2026-02-10T11:42:05,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf 2026-02-10T11:42:05,826 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf 2026-02-10T11:42:05,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4 2026-02-10T11:42:05,830 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4 2026-02-10T11:42:05,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be 2026-02-10T11:42:05,833 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be 2026-02-10T11:42:05,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf 2026-02-10T11:42:05,837 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf 2026-02-10T11:42:05,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o 2026-02-10T11:42:05,840 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o 2026-02-10T11:42:05,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4 2026-02-10T11:42:05,844 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4 2026-02-10T11:42:05,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf 2026-02-10T11:42:05,847 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf 2026-02-10T11:42:05,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3 2026-02-10T11:42:05,851 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3 2026-02-10T11:42:05,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h 2026-02-10T11:42:05,855 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h 2026-02-10T11:42:05,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo 2026-02-10T11:42:05,859 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo 2026-02-10T11:42:05,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl 2026-02-10T11:42:05,864 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl 2026-02-10T11:42:05,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6 2026-02-10T11:42:05,868 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6 2026-02-10T11:42:05,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2 2026-02-10T11:42:05,871 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2 2026-02-10T11:42:05,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo 2026-02-10T11:42:05,875 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo 2026-02-10T11:42:05,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane 2026-02-10T11:42:05,879 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane 2026-02-10T11:42:05,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco 2026-02-10T11:42:05,882 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco 2026-02-10T11:42:05,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si 2026-02-10T11:42:05,886 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si 2026-02-10T11:42:05,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n 2026-02-10T11:42:05,889 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n 2026-02-10T11:42:05,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h 2026-02-10T11:42:05,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h 2026-02-10T11:42:05,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane 2026-02-10T11:42:05,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane 2026-02-10T11:42:05,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2 2026-02-10T11:42:05,900 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2 2026-02-10T11:42:05,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene 2026-02-10T11:42:05,903 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene 2026-02-10T11:42:05,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl 2026-02-10T11:42:05,907 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl 2026-02-10T11:42:05,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2 2026-02-10T11:42:05,910 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2 2026-02-10T11:42:05,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f 2026-02-10T11:42:05,914 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f 2026-02-10T11:42:05,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3 2026-02-10T11:42:05,917 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3 2026-02-10T11:42:05,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2 2026-02-10T11:42:05,921 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2 2026-02-10T11:42:05,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o 2026-02-10T11:42:05,924 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o 2026-02-10T11:42:05,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3 2026-02-10T11:42:05,928 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3 2026-02-10T11:42:05,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s 2026-02-10T11:42:05,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s 2026-02-10T11:42:05,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o 2026-02-10T11:42:05,935 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o 2026-02-10T11:42:05,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3 2026-02-10T11:42:05,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3 2026-02-10T11:42:05,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4 2026-02-10T11:42:05,942 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4 2026-02-10T11:42:05,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3 2026-02-10T11:42:05,945 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3 2026-02-10T11:42:05,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih 2026-02-10T11:42:05,949 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih 2026-02-10T11:42:05,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof 2026-02-10T11:42:05,952 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof 2026-02-10T11:42:05,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f 2026-02-10T11:42:05,956 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f 2026-02-10T11:42:05,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno 2026-02-10T11:42:05,959 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno 2026-02-10T11:42:05,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no 2026-02-10T11:42:05,963 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no 2026-02-10T11:42:05,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c 2026-02-10T11:42:05,966 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c 2026-02-10T11:42:05,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh 2026-02-10T11:42:05,970 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh 2026-02-10T11:42:05,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co 2026-02-10T11:42:05,973 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co 2026-02-10T11:42:05,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene 2026-02-10T11:42:05,978 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene 2026-02-10T11:42:05,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn 2026-02-10T11:42:05,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn 2026-02-10T11:42:05,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs 2026-02-10T11:42:05,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs 2026-02-10T11:42:05,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p 2026-02-10T11:42:05,990 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p 2026-02-10T11:42:05,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:42:05,995 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 2026-02-10T11:42:05,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch 2026-02-10T11:42:05,998 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch 2026-02-10T11:42:06,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3 2026-02-10T11:42:06,002 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3 2026-02-10T11:42:06,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh 2026-02-10T11:42:06,006 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh 2026-02-10T11:42:06,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2 2026-02-10T11:42:06,010 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2 2026-02-10T11:42:06,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2 2026-02-10T11:42:06,013 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2 2026-02-10T11:42:06,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f 2026-02-10T11:42:06,017 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f 2026-02-10T11:42:06,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2 2026-02-10T11:42:06,020 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2 2026-02-10T11:42:06,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs 2026-02-10T11:42:06,023 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs 2026-02-10T11:42:06,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi 2026-02-10T11:42:06,027 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi 2026-02-10T11:42:06,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl 2026-02-10T11:42:06,030 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl 2026-02-10T11:42:06,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2 2026-02-10T11:42:06,034 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2 2026-02-10T11:42:06,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene 2026-02-10T11:42:06,037 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene 2026-02-10T11:42:06,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo 2026-02-10T11:42:06,041 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 2026-02-10T11:42:06,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2 2026-02-10T11:42:06,044 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2 2026-02-10T11:42:06,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf 2026-02-10T11:42:06,048 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf 2026-02-10T11:42:06,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so 2026-02-10T11:42:06,051 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so 2026-02-10T11:42:06,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch 2026-02-10T11:42:06,055 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch 2026-02-10T11:42:06,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2 2026-02-10T11:42:06,058 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2 2026-02-10T11:42:06,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane 2026-02-10T11:42:06,061 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane 2026-02-10T11:42:06,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o 2026-02-10T11:42:06,065 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o 2026-02-10T11:42:06,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc 2026-02-10T11:42:06,068 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc 2026-02-10T11:42:06,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:42:06,072 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:42:06,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3 2026-02-10T11:42:06,075 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3 2026-02-10T11:42:06,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c 2026-02-10T11:42:06,079 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c 2026-02-10T11:42:06,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2 2026-02-10T11:42:06,082 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2 2026-02-10T11:42:06,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco 2026-02-10T11:42:06,086 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco 2026-02-10T11:42:06,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2 2026-02-10T11:42:06,090 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2 2026-02-10T11:42:06,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn 2026-02-10T11:42:06,093 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn 2026-02-10T11:42:06,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:42:06,097 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 2026-02-10T11:42:06,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f 2026-02-10T11:42:06,100 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f 2026-02-10T11:42:06,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn 2026-02-10T11:42:06,103 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn 2026-02-10T11:42:06,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co 2026-02-10T11:42:06,107 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co 2026-02-10T11:42:06,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:42:06,110 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 2026-02-10T11:42:06,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif 2026-02-10T11:42:06,114 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif 2026-02-10T11:42:06,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4 2026-02-10T11:42:06,117 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4 2026-02-10T11:42:06,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3 2026-02-10T11:42:06,121 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3 2026-02-10T11:42:06,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2 2026-02-10T11:42:06,125 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2 2026-02-10T11:42:06,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al 2026-02-10T11:42:06,129 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al 2026-02-10T11:42:06,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh 2026-02-10T11:42:06,133 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh 2026-02-10T11:42:06,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono 2026-02-10T11:42:06,137 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 2026-02-10T11:42:06,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn 2026-02-10T11:42:06,141 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn 2026-02-10T11:42:06,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo 2026-02-10T11:42:06,144 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 2026-02-10T11:42:06,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio 2026-02-10T11:42:06,147 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio 2026-02-10T11:42:06,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh 2026-02-10T11:42:06,151 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh 2026-02-10T11:42:06,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:42:06,154 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 2026-02-10T11:42:06,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch 2026-02-10T11:42:06,158 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch 2026-02-10T11:42:06,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl 2026-02-10T11:42:06,161 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl 2026-02-10T11:42:06,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn 2026-02-10T11:42:06,165 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn 2026-02-10T11:42:06,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2 2026-02-10T11:42:06,169 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2 2026-02-10T11:42:06,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43 2026-02-10T11:42:06,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07 2026-02-10T11:42:06,175 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07 2026-02-10T11:42:06,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36 2026-02-10T11:42:06,178 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36 2026-02-10T11:42:06,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02 2026-02-10T11:42:06,182 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02 2026-02-10T11:42:06,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12 2026-02-10T11:42:06,186 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12 2026-02-10T11:42:06,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27 2026-02-10T11:42:06,189 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27 2026-02-10T11:42:06,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18 2026-02-10T11:42:06,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18 2026-02-10T11:42:06,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34 2026-02-10T11:42:06,196 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34 2026-02-10T11:42:06,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13 2026-02-10T11:42:06,200 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13 2026-02-10T11:42:06,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38 2026-02-10T11:42:06,204 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38 2026-02-10T11:42:06,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2 2026-02-10T11:42:06,208 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2 2026-02-10T11:42:06,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH 2026-02-10T11:42:06,211 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH 2026-02-10T11:42:06,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2 2026-02-10T11:42:06,215 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2 2026-02-10T11:42:06,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05 2026-02-10T11:42:06,220 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05 2026-02-10T11:42:06,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20 2026-02-10T11:42:06,224 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20 2026-02-10T11:42:06,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01 2026-02-10T11:42:06,228 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01 2026-02-10T11:42:06,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08 2026-02-10T11:42:06,231 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08 2026-02-10T11:42:06,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41 2026-02-10T11:42:06,235 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41 2026-02-10T11:42:06,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4 2026-02-10T11:42:06,239 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4 2026-02-10T11:42:06,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2 2026-02-10T11:42:06,243 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2 2026-02-10T11:42:06,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04 2026-02-10T11:42:06,246 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04 2026-02-10T11:42:06,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16 2026-02-10T11:42:06,249 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16 2026-02-10T11:42:06,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4 2026-02-10T11:42:06,253 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4 2026-02-10T11:42:06,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2 2026-02-10T11:42:06,256 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2 2026-02-10T11:42:06,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25 2026-02-10T11:42:06,260 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25 2026-02-10T11:42:06,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30 2026-02-10T11:42:06,263 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30 2026-02-10T11:42:06,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH 2026-02-10T11:42:06,266 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH 2026-02-10T11:42:06,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43 2026-02-10T11:42:06,270 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43 2026-02-10T11:42:06,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2 2026-02-10T11:42:06,273 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2 2026-02-10T11:42:06,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09 2026-02-10T11:42:06,277 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09 2026-02-10T11:42:06,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37 2026-02-10T11:42:06,281 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37 2026-02-10T11:42:06,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3 2026-02-10T11:42:06,284 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3 2026-02-10T11:42:06,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22 2026-02-10T11:42:06,288 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22 2026-02-10T11:42:06,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23 2026-02-10T11:42:06,291 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23 2026-02-10T11:42:06,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2 2026-02-10T11:42:06,295 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2 2026-02-10T11:42:06,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10 2026-02-10T11:42:06,299 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10 2026-02-10T11:42:06,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06 2026-02-10T11:42:06,302 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06 2026-02-10T11:42:06,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2 2026-02-10T11:42:06,305 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2 2026-02-10T11:42:06,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28 2026-02-10T11:42:06,309 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28 2026-02-10T11:42:06,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26 2026-02-10T11:42:06,312 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26 2026-02-10T11:42:06,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40 2026-02-10T11:42:06,315 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40 2026-02-10T11:42:06,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11 2026-02-10T11:42:06,319 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11 2026-02-10T11:42:06,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32 2026-02-10T11:42:06,322 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32 2026-02-10T11:42:06,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2 2026-02-10T11:42:06,326 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2 2026-02-10T11:42:06,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24 2026-02-10T11:42:06,330 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24 2026-02-10T11:42:06,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15 2026-02-10T11:42:06,333 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15 2026-02-10T11:42:06,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03 2026-02-10T11:42:06,337 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03 2026-02-10T11:42:06,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17 2026-02-10T11:42:06,340 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17 2026-02-10T11:42:06,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21 2026-02-10T11:42:06,344 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21 2026-02-10T11:42:06,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3 2026-02-10T11:42:06,347 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3 2026-02-10T11:42:06,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42 2026-02-10T11:42:06,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42 2026-02-10T11:42:06,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39 2026-02-10T11:42:06,354 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39 2026-02-10T11:42:06,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35 2026-02-10T11:42:06,357 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35 2026-02-10T11:42:06,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14 2026-02-10T11:42:06,361 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14 2026-02-10T11:42:06,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19 2026-02-10T11:42:06,364 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19 2026-02-10T11:42:06,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33 2026-02-10T11:42:06,368 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33 2026-02-10T11:42:06,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2 2026-02-10T11:42:06,372 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2 2026-02-10T11:42:06,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29 2026-02-10T11:42:06,375 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29 2026-02-10T11:42:06,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31 2026-02-10T11:42:06,378 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31 2026-02-10T11:42:06,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23 2026-02-10T11:42:06,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z 2026-02-10T11:42:06,384 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z 2026-02-10T11:42:06,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b 2026-02-10T11:42:06,388 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b 2026-02-10T11:42:06,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e 2026-02-10T11:42:06,392 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e 2026-02-10T11:42:06,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d 2026-02-10T11:42:06,395 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d 2026-02-10T11:42:06,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m 2026-02-10T11:42:06,399 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m 2026-02-10T11:42:06,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b 2026-02-10T11:42:06,403 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b 2026-02-10T11:42:06,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f 2026-02-10T11:42:06,407 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f 2026-02-10T11:42:06,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a 2026-02-10T11:42:06,410 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a 2026-02-10T11:42:06,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b 2026-02-10T11:42:06,414 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b 2026-02-10T11:42:06,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b 2026-02-10T11:42:06,418 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b 2026-02-10T11:42:06,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h 2026-02-10T11:42:06,421 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h 2026-02-10T11:42:06,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g 2026-02-10T11:42:06,425 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g 2026-02-10T11:42:06,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p 2026-02-10T11:42:06,428 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p 2026-02-10T11:42:06,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p 2026-02-10T11:42:06,431 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p 2026-02-10T11:42:06,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a 2026-02-10T11:42:06,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a 2026-02-10T11:42:06,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p 2026-02-10T11:42:06,439 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p 2026-02-10T11:42:06,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d 2026-02-10T11:42:06,443 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d 2026-02-10T11:42:06,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a 2026-02-10T11:42:06,446 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a 2026-02-10T11:42:06,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a 2026-02-10T11:42:06,450 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a 2026-02-10T11:42:06,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c 2026-02-10T11:42:06,454 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c 2026-02-10T11:42:06,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p 2026-02-10T11:42:06,459 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p 2026-02-10T11:42:06,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa 2026-02-10T11:42:06,463 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa 2026-02-10T11:42:06,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a 2026-02-10T11:42:06,466 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a 2026-02-10T11:42:06,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a 2026-02-10T11:42:06,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a 2026-02-10T11:42:06,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27 2026-02-10T11:42:06,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:42:06,476 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:42:06,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:42:06,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:42:06,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:42:06,484 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:42:06,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:42:06,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:42:06,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:42:06,491 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:42:06,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:42:06,494 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:42:06,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:42:06,498 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:42:06,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:42:06,502 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:42:06,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:42:06,505 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:42:06,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:42:06,509 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:42:06,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:42:06,512 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:42:06,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2 2026-02-10T11:42:06,515 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2 2026-02-10T11:42:06,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:42:06,519 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:42:06,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:42:06,523 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:42:06,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:42:06,526 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:42:06,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:42:06,530 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:42:06,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:42:06,533 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:42:06,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:42:06,537 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:42:06,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:42:06,540 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:42:06,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:42:06,544 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:42:06,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:42:06,548 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:42:06,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:42:06,551 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:42:06,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:42:06,555 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:42:06,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:42:06,559 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:42:06,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2 2026-02-10T11:42:06,562 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2 2026-02-10T11:42:06,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:42:06,566 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:42:06,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:42:06,569 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:42:06,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:42:06,573 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:42:06,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:42:06,576 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:42:06,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:42:06,580 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:42:06,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:42:06,583 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:42:06,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:42:06,587 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:42:06,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:42:06,591 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:42:06,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:42:06,596 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:42:06,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:42:06,599 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:42:06,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:42:06,603 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:42:06,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:42:06,607 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:42:06,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:42:06,610 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:42:06,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:42:06,614 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:42:06,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:42:06,617 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:42:06,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15 2026-02-10T11:42:06,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b 2026-02-10T11:42:06,623 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b 2026-02-10T11:42:06,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b 2026-02-10T11:42:06,627 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b 2026-02-10T11:42:06,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c 2026-02-10T11:42:06,630 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c 2026-02-10T11:42:06,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a 2026-02-10T11:42:06,634 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a 2026-02-10T11:42:06,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b 2026-02-10T11:42:06,637 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b 2026-02-10T11:42:06,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c 2026-02-10T11:42:06,641 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c 2026-02-10T11:42:06,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b 2026-02-10T11:42:06,645 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b 2026-02-10T11:42:06,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c 2026-02-10T11:42:06,648 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c 2026-02-10T11:42:06,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a 2026-02-10T11:42:06,651 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a 2026-02-10T11:42:06,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d 2026-02-10T11:42:06,654 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d 2026-02-10T11:42:06,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a 2026-02-10T11:42:06,659 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a 2026-02-10T11:42:06,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b 2026-02-10T11:42:06,663 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b 2026-02-10T11:42:06,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b 2026-02-10T11:42:06,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b 2026-02-10T11:42:06,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d 2026-02-10T11:42:06,670 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d 2026-02-10T11:42:06,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a 2026-02-10T11:42:06,673 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a 2026-02-10T11:42:06,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a 2026-02-10T11:42:06,677 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a 2026-02-10T11:42:06,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b 2026-02-10T11:42:06,681 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b 2026-02-10T11:42:06,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a 2026-02-10T11:42:06,685 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a 2026-02-10T11:42:06,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b 2026-02-10T11:42:06,688 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b 2026-02-10T11:42:06,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a 2026-02-10T11:42:06,692 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a 2026-02-10T11:42:06,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a 2026-02-10T11:42:06,696 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a 2026-02-10T11:42:06,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b 2026-02-10T11:42:06,700 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b 2026-02-10T11:42:06,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b 2026-02-10T11:42:06,704 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b 2026-02-10T11:42:06,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a 2026-02-10T11:42:06,707 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a 2026-02-10T11:42:06,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a 2026-02-10T11:42:06,711 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a 2026-02-10T11:42:06,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL 2026-02-10T11:42:06,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:42:06,718 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:42:06,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:42:06,722 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:42:06,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:42:06,726 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:42:06,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:42:06,729 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:42:06,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:42:06,733 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:42:06,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:42:06,736 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:42:06,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:42:06,741 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:42:06,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:42:06,744 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:42:06,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:42:06,748 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:42:06,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:42:06,751 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:42:06,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:42:06,755 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:42:06,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:42:06,759 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:42:06,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:42:06,762 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:42:06,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:42:06,766 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:42:06,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:42:06,769 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:42:06,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:42:06,773 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:42:06,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:42:06,776 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:42:06,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:42:06,780 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:42:06,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:42:06,783 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:42:06,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:42:06,788 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:42:06,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:42:06,792 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:42:06,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:42:06,796 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:42:06,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:42:06,800 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:42:06,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:42:06,803 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:42:06,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:42:06,807 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:42:06,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:42:06,810 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:42:06,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:42:06,813 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:42:06,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:42:06,817 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:42:06,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:42:06,820 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:42:06,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:42:06,823 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:42:06,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:42:06,827 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:42:06,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:42:06,830 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:42:06,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:42:06,834 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:42:06,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:42:06,837 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:42:06,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:42:06,840 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:42:06,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:42:06,844 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:42:06,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:42:06,847 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:42:06,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:42:06,851 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:42:06,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:42:06,854 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:42:06,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:42:06,857 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:42:06,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:42:06,861 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:42:06,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:42:06,864 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:42:06,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:42:06,868 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:42:06,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:42:06,871 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:42:06,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:42:06,874 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:42:06,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:42:06,878 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:42:06,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:42:06,881 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:42:06,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:42:06,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:42:06,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:42:06,888 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:42:06,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:42:06,892 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:42:06,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:42:06,895 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:42:06,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:42:06,899 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:42:06,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:42:06,902 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:42:06,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:42:06,906 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:42:06,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:42:06,910 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:42:06,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:42:06,914 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:42:06,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:42:06,917 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:42:06,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:42:06,921 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:42:06,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:42:06,924 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:42:06,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:42:06,928 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:42:06,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:42:06,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:42:06,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:42:06,935 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:42:06,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:42:06,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:42:06,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:42:06,942 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:42:06,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:42:06,945 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:42:06,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC 2026-02-10T11:42:06,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:42:06,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:42:06,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3 2026-02-10T11:42:06,956 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3 2026-02-10T11:42:06,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3 2026-02-10T11:42:06,959 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3 2026-02-10T11:42:06,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:42:06,962 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:42:06,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:42:06,966 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:42:06,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3 2026-02-10T11:42:06,969 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3 2026-02-10T11:42:06,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:42:06,973 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:42:06,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3 2026-02-10T11:42:06,976 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3 2026-02-10T11:42:06,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:42:06,980 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:42:06,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:42:06,983 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:42:06,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut 2026-02-10T11:42:06,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut 2026-02-10T11:42:06,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F 2026-02-10T11:42:06,990 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F 2026-02-10T11:42:06,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H 2026-02-10T11:42:06,993 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H 2026-02-10T11:42:06,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2 2026-02-10T11:42:06,997 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2 2026-02-10T11:42:06,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3 2026-02-10T11:42:07,000 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3 2026-02-10T11:42:07,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3 2026-02-10T11:42:07,004 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3 2026-02-10T11:42:07,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3 2026-02-10T11:42:07,007 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3 2026-02-10T11:42:07,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz 2026-02-10T11:42:07,011 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz 2026-02-10T11:42:07,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:42:07,014 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:42:07,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch 2026-02-10T11:42:07,018 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch 2026-02-10T11:42:07,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2 2026-02-10T11:42:07,021 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2 2026-02-10T11:42:07,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21 2026-02-10T11:42:07,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1 2026-02-10T11:42:07,028 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1 2026-02-10T11:42:07,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3 2026-02-10T11:42:07,032 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3 2026-02-10T11:42:07,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2 2026-02-10T11:42:07,035 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2 2026-02-10T11:42:07,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2 2026-02-10T11:42:07,039 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2 2026-02-10T11:42:07,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e 2026-02-10T11:42:07,042 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e 2026-02-10T11:42:07,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e 2026-02-10T11:42:07,046 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e 2026-02-10T11:42:07,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3 2026-02-10T11:42:07,050 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3 2026-02-10T11:42:07,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3 2026-02-10T11:42:07,053 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3 2026-02-10T11:42:07,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e 2026-02-10T11:42:07,057 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e 2026-02-10T11:42:07,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1 2026-02-10T11:42:07,060 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1 2026-02-10T11:42:07,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1 2026-02-10T11:42:07,064 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1 2026-02-10T11:42:07,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2 2026-02-10T11:42:07,067 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2 2026-02-10T11:42:07,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3 2026-02-10T11:42:07,071 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3 2026-02-10T11:42:07,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e 2026-02-10T11:42:07,074 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e 2026-02-10T11:42:07,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5 2026-02-10T11:42:07,078 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5 2026-02-10T11:42:07,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int 2026-02-10T11:42:07,081 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int 2026-02-10T11:42:07,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1 2026-02-10T11:42:07,085 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1 2026-02-10T11:42:07,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p 2026-02-10T11:42:07,089 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p 2026-02-10T11:42:07,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr 2026-02-10T11:42:07,092 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr 2026-02-10T11:42:07,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1 2026-02-10T11:42:07,096 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1 2026-02-10T11:42:07,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2 2026-02-10T11:42:07,099 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2 2026-02-10T11:42:07,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p 2026-02-10T11:42:07,103 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p 2026-02-10T11:42:07,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me 2026-02-10T11:42:07,107 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me 2026-02-10T11:42:07,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene 2026-02-10T11:42:07,110 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene 2026-02-10T11:42:07,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2 2026-02-10T11:42:07,114 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2 2026-02-10T11:42:07,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6 2026-02-10T11:42:07,117 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6 2026-02-10T11:42:07,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e 2026-02-10T11:42:07,121 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e 2026-02-10T11:42:07,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e 2026-02-10T11:42:07,124 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e 2026-02-10T11:42:07,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4 2026-02-10T11:42:07,127 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4 2026-02-10T11:42:07,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3 2026-02-10T11:42:07,131 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3 2026-02-10T11:42:07,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1 2026-02-10T11:42:07,134 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1 2026-02-10T11:42:07,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1 2026-02-10T11:42:07,138 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1 2026-02-10T11:42:07,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3 2026-02-10T11:42:07,141 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3 2026-02-10T11:42:07,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e 2026-02-10T11:42:07,145 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e 2026-02-10T11:42:07,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2 2026-02-10T11:42:07,149 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2 2026-02-10T11:42:07,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1 2026-02-10T11:42:07,152 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1 2026-02-10T11:42:07,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e 2026-02-10T11:42:07,157 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e 2026-02-10T11:42:07,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2 2026-02-10T11:42:07,160 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2 2026-02-10T11:42:07,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1 2026-02-10T11:42:07,164 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1 2026-02-10T11:42:07,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e 2026-02-10T11:42:07,167 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e 2026-02-10T11:42:07,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e 2026-02-10T11:42:07,170 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e 2026-02-10T11:42:07,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20 2026-02-10T11:42:07,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25 2026-02-10T11:42:07,176 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25 2026-02-10T11:42:07,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52 2026-02-10T11:42:07,179 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52 2026-02-10T11:42:07,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45 2026-02-10T11:42:07,183 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45 2026-02-10T11:42:07,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45 2026-02-10T11:42:07,186 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45 2026-02-10T11:42:07,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51 2026-02-10T11:42:07,190 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51 2026-02-10T11:42:07,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40 2026-02-10T11:42:07,193 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40 2026-02-10T11:42:07,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44 2026-02-10T11:42:07,197 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44 2026-02-10T11:42:07,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60 2026-02-10T11:42:07,200 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60 2026-02-10T11:42:07,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60 2026-02-10T11:42:07,204 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60 2026-02-10T11:42:07,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56 2026-02-10T11:42:07,211 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56 2026-02-10T11:42:07,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43 2026-02-10T11:42:07,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43 2026-02-10T11:42:07,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21 2026-02-10T11:42:07,221 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21 2026-02-10T11:42:07,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44 2026-02-10T11:42:07,224 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44 2026-02-10T11:42:07,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29 2026-02-10T11:42:07,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29 2026-02-10T11:42:07,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26 2026-02-10T11:42:07,231 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26 2026-02-10T11:42:07,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22 2026-02-10T11:42:07,235 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22 2026-02-10T11:42:07,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57 2026-02-10T11:42:07,239 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57 2026-02-10T11:42:07,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26 2026-02-10T11:42:07,242 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26 2026-02-10T11:42:07,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20 2026-02-10T11:42:07,245 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20 2026-02-10T11:42:07,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22 2026-02-10T11:42:07,249 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22 2026-02-10T11:42:07,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43 2026-02-10T11:42:07,252 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43 2026-02-10T11:42:07,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52 2026-02-10T11:42:07,255 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52 2026-02-10T11:42:07,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47 2026-02-10T11:42:07,259 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47 2026-02-10T11:42:07,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47 2026-02-10T11:42:07,262 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47 2026-02-10T11:42:07,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28 2026-02-10T11:42:07,266 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28 2026-02-10T11:42:07,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49 2026-02-10T11:42:07,270 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49 2026-02-10T11:42:07,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48 2026-02-10T11:42:07,273 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48 2026-02-10T11:42:07,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49 2026-02-10T11:42:07,277 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49 2026-02-10T11:42:07,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48 2026-02-10T11:42:07,280 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48 2026-02-10T11:42:07,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20 2026-02-10T11:42:07,284 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20 2026-02-10T11:42:07,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46 2026-02-10T11:42:07,287 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46 2026-02-10T11:42:07,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51 2026-02-10T11:42:07,290 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51 2026-02-10T11:42:07,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40 2026-02-10T11:42:07,294 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40 2026-02-10T11:42:07,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46 2026-02-10T11:42:07,297 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46 2026-02-10T11:42:07,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25 2026-02-10T11:42:07,301 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25 2026-02-10T11:42:07,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56 2026-02-10T11:42:07,304 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56 2026-02-10T11:42:07,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05 2026-02-10T11:42:07,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:42:07,312 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:42:07,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1 2026-02-10T11:42:07,316 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1 2026-02-10T11:42:07,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2 2026-02-10T11:42:07,319 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2 2026-02-10T11:42:07,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1 2026-02-10T11:42:07,323 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1 2026-02-10T11:42:07,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic 2026-02-10T11:42:07,327 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic 2026-02-10T11:42:07,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64 2026-02-10T11:42:07,330 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64 2026-02-10T11:42:07,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr 2026-02-10T11:42:07,333 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr 2026-02-10T11:42:07,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr 2026-02-10T11:42:07,336 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr 2026-02-10T11:42:07,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A 2026-02-10T11:42:07,340 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A 2026-02-10T11:42:07,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo 2026-02-10T11:42:07,343 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo 2026-02-10T11:42:07,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A 2026-02-10T11:42:07,347 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A 2026-02-10T11:42:07,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh 2026-02-10T11:42:07,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh 2026-02-10T11:42:07,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2 2026-02-10T11:42:07,354 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2 2026-02-10T11:42:07,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc 2026-02-10T11:42:07,357 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc 2026-02-10T11:42:07,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe 2026-02-10T11:42:07,360 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe 2026-02-10T11:42:07,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4 2026-02-10T11:42:07,363 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4 2026-02-10T11:42:07,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74 2026-02-10T11:42:07,367 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74 2026-02-10T11:42:07,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:42:07,370 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:42:07,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:42:07,373 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 2026-02-10T11:42:07,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:42:07,376 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:42:07,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2 2026-02-10T11:42:07,380 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2 2026-02-10T11:42:07,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he 2026-02-10T11:42:07,383 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he 2026-02-10T11:42:07,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm 2026-02-10T11:42:07,386 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm 2026-02-10T11:42:07,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s 2026-02-10T11:42:07,390 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s 2026-02-10T11:42:07,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf 2026-02-10T11:42:07,393 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf 2026-02-10T11:42:07,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3 2026-02-10T11:42:07,397 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3 2026-02-10T11:42:07,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots 2026-02-10T11:42:07,400 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots 2026-02-10T11:42:07,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+ 2026-02-10T11:42:07,403 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+ 2026-02-10T11:42:07,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21 2026-02-10T11:42:07,407 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21 2026-02-10T11:42:07,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3 2026-02-10T11:42:07,410 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3 2026-02-10T11:42:07,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:42:07,413 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:42:07,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18 2026-02-10T11:42:07,417 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18 2026-02-10T11:42:07,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20 2026-02-10T11:42:07,420 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20 2026-02-10T11:42:07,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34 2026-02-10T11:42:07,423 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34 2026-02-10T11:42:07,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13 2026-02-10T11:42:07,427 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13 2026-02-10T11:42:07,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:42:07,430 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:42:07,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:42:07,433 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 2026-02-10T11:42:07,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:42:07,437 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:42:07,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b 2026-02-10T11:42:07,440 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b 2026-02-10T11:42:07,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O 2026-02-10T11:42:07,443 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O 2026-02-10T11:42:07,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2 2026-02-10T11:42:07,447 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2 2026-02-10T11:42:07,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76 2026-02-10T11:42:07,450 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76 2026-02-10T11:42:07,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A 2026-02-10T11:42:07,453 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A 2026-02-10T11:42:07,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2 2026-02-10T11:42:07,457 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2 2026-02-10T11:42:07,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+ 2026-02-10T11:42:07,460 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+ 2026-02-10T11:42:07,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:42:07,464 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:42:07,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs 2026-02-10T11:42:07,467 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs 2026-02-10T11:42:07,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B 2026-02-10T11:42:07,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B 2026-02-10T11:42:07,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17 2026-02-10T11:42:07,473 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17 2026-02-10T11:42:07,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48 2026-02-10T11:42:07,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48 2026-02-10T11:42:07,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1 2026-02-10T11:42:07,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1 2026-02-10T11:42:07,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p 2026-02-10T11:42:07,484 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p 2026-02-10T11:42:07,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45 2026-02-10T11:42:07,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45 2026-02-10T11:42:07,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH 2026-02-10T11:42:07,490 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH 2026-02-10T11:42:07,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20 2026-02-10T11:42:07,494 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20 2026-02-10T11:42:07,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o 2026-02-10T11:42:07,497 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o 2026-02-10T11:42:07,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh 2026-02-10T11:42:07,500 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh 2026-02-10T11:42:07,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be 2026-02-10T11:42:07,503 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be 2026-02-10T11:42:07,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20 2026-02-10T11:42:07,507 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20 2026-02-10T11:42:07,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3 2026-02-10T11:42:07,510 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3 2026-02-10T11:42:07,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1 2026-02-10T11:42:07,514 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1 2026-02-10T11:42:07,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S 2026-02-10T11:42:07,517 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S 2026-02-10T11:42:07,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80 2026-02-10T11:42:07,521 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80 2026-02-10T11:42:07,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf 2026-02-10T11:42:07,524 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf 2026-02-10T11:42:07,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14 2026-02-10T11:42:07,527 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14 2026-02-10T11:42:07,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59 2026-02-10T11:42:07,530 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59 2026-02-10T11:42:07,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3 2026-02-10T11:42:07,533 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3 2026-02-10T11:42:07,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02 2026-02-10T11:42:07,537 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02 2026-02-10T11:42:07,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:42:07,540 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:42:07,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A 2026-02-10T11:42:07,544 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A 2026-02-10T11:42:07,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl 2026-02-10T11:42:07,547 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl 2026-02-10T11:42:07,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73 2026-02-10T11:42:07,550 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73 2026-02-10T11:42:07,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo 2026-02-10T11:42:07,554 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo 2026-02-10T11:42:07,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco 2026-02-10T11:42:07,557 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco 2026-02-10T11:42:07,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao 2026-02-10T11:42:07,561 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao 2026-02-10T11:42:07,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B 2026-02-10T11:42:07,564 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B 2026-02-10T11:42:07,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si 2026-02-10T11:42:07,567 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si 2026-02-10T11:42:07,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A 2026-02-10T11:42:07,570 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A 2026-02-10T11:42:07,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p 2026-02-10T11:42:07,574 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p 2026-02-10T11:42:07,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:42:07,577 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:42:07,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:42:07,580 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:42:07,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h 2026-02-10T11:42:07,583 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h 2026-02-10T11:42:07,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:42:07,586 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:42:07,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca 2026-02-10T11:42:07,590 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca 2026-02-10T11:42:07,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2 2026-02-10T11:42:07,593 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2 2026-02-10T11:42:07,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4 2026-02-10T11:42:07,596 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4 2026-02-10T11:42:07,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:42:07,600 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:42:07,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2 2026-02-10T11:42:07,603 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2 2026-02-10T11:42:07,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne 2026-02-10T11:42:07,607 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne 2026-02-10T11:42:07,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A 2026-02-10T11:42:07,610 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A 2026-02-10T11:42:07,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B 2026-02-10T11:42:07,614 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B 2026-02-10T11:42:07,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25 2026-02-10T11:42:07,617 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25 2026-02-10T11:42:07,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20 2026-02-10T11:42:07,620 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20 2026-02-10T11:42:07,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s 2026-02-10T11:42:07,623 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s 2026-02-10T11:42:07,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B 2026-02-10T11:42:07,627 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B 2026-02-10T11:42:07,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4 2026-02-10T11:42:07,630 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4 2026-02-10T11:42:07,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10 2026-02-10T11:42:07,633 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10 2026-02-10T11:42:07,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:42:07,637 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:42:07,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k 2026-02-10T11:42:07,640 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k 2026-02-10T11:42:07,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg 2026-02-10T11:42:07,644 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg 2026-02-10T11:42:07,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67 2026-02-10T11:42:07,647 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67 2026-02-10T11:42:07,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:42:07,652 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:42:07,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78 2026-02-10T11:42:07,655 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78 2026-02-10T11:42:07,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43 2026-02-10T11:42:07,659 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43 2026-02-10T11:42:07,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts 2026-02-10T11:42:07,662 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts 2026-02-10T11:42:07,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A 2026-02-10T11:42:07,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A 2026-02-10T11:42:07,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3 2026-02-10T11:42:07,669 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3 2026-02-10T11:42:07,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25 2026-02-10T11:42:07,672 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25 2026-02-10T11:42:07,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:42:07,675 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:42:07,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf 2026-02-10T11:42:07,678 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf 2026-02-10T11:42:07,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2 2026-02-10T11:42:07,682 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2 2026-02-10T11:42:07,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH 2026-02-10T11:42:07,686 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH 2026-02-10T11:42:07,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a 2026-02-10T11:42:07,689 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a 2026-02-10T11:42:07,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:42:07,692 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:42:07,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B 2026-02-10T11:42:07,696 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B 2026-02-10T11:42:07,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47 2026-02-10T11:42:07,699 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47 2026-02-10T11:42:07,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4 2026-02-10T11:42:07,702 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4 2026-02-10T11:42:07,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+ 2026-02-10T11:42:07,706 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+ 2026-02-10T11:42:07,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6 2026-02-10T11:42:07,710 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6 2026-02-10T11:42:07,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B 2026-02-10T11:42:07,713 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B 2026-02-10T11:42:07,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f 2026-02-10T11:42:07,716 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f 2026-02-10T11:42:07,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:42:07,719 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:42:07,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A 2026-02-10T11:42:07,722 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A 2026-02-10T11:42:07,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s 2026-02-10T11:42:07,726 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s 2026-02-10T11:42:07,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar 2026-02-10T11:42:07,729 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar 2026-02-10T11:42:07,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2 2026-02-10T11:42:07,733 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2 2026-02-10T11:42:07,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:42:07,736 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:42:07,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s 2026-02-10T11:42:07,739 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s 2026-02-10T11:42:07,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl 2026-02-10T11:42:07,743 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl 2026-02-10T11:42:07,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40 2026-02-10T11:42:07,746 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40 2026-02-10T11:42:07,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:42:07,749 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:42:07,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b 2026-02-10T11:42:07,753 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b 2026-02-10T11:42:07,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:42:07,756 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 2026-02-10T11:42:07,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12 2026-02-10T11:42:07,759 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12 2026-02-10T11:42:07,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh 2026-02-10T11:42:07,763 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh 2026-02-10T11:42:07,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B 2026-02-10T11:42:07,766 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B 2026-02-10T11:42:07,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71 2026-02-10T11:42:07,769 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71 2026-02-10T11:42:07,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5 2026-02-10T11:42:07,773 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5 2026-02-10T11:42:07,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24 2026-02-10T11:42:07,776 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24 2026-02-10T11:42:07,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2 2026-02-10T11:42:07,779 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2 2026-02-10T11:42:07,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts 2026-02-10T11:42:07,783 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts 2026-02-10T11:42:07,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2 2026-02-10T11:42:07,786 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2 2026-02-10T11:42:07,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:42:07,789 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:42:07,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr 2026-02-10T11:42:07,793 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr 2026-02-10T11:42:07,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c 2026-02-10T11:42:07,796 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c 2026-02-10T11:42:07,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2 2026-02-10T11:42:07,800 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2 2026-02-10T11:42:07,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f 2026-02-10T11:42:07,803 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f 2026-02-10T11:42:07,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn 2026-02-10T11:42:07,806 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn 2026-02-10T11:42:07,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:42:07,809 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:42:07,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+ 2026-02-10T11:42:07,812 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+ 2026-02-10T11:42:07,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3 2026-02-10T11:42:07,816 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3 2026-02-10T11:42:07,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2 2026-02-10T11:42:07,819 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2 2026-02-10T11:42:07,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+ 2026-02-10T11:42:07,822 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+ 2026-02-10T11:42:07,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39 2026-02-10T11:42:07,826 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39 2026-02-10T11:42:07,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4 2026-02-10T11:42:07,829 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4 2026-02-10T11:42:07,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al 2026-02-10T11:42:07,832 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al 2026-02-10T11:42:07,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:42:07,836 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:42:07,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn 2026-02-10T11:42:07,839 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn 2026-02-10T11:42:07,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68 2026-02-10T11:42:07,843 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68 2026-02-10T11:42:07,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl 2026-02-10T11:42:07,846 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl 2026-02-10T11:42:07,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58 2026-02-10T11:42:07,850 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58 2026-02-10T11:42:07,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:42:07,853 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:42:07,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:42:07,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:42:07,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:42:07,859 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:42:07,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8 2026-02-10T11:42:07,863 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8 2026-02-10T11:42:07,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:42:07,866 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:42:07,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp 2026-02-10T11:42:07,870 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp 2026-02-10T11:42:07,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2 2026-02-10T11:42:07,873 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2 2026-02-10T11:42:07,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2 2026-02-10T11:42:07,877 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2 2026-02-10T11:42:07,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:42:07,881 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:42:07,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18 2026-02-10T11:42:07,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:42:07,887 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:42:07,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:42:07,891 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:42:07,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s 2026-02-10T11:42:07,894 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s 2026-02-10T11:42:07,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3 2026-02-10T11:42:07,898 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3 2026-02-10T11:42:07,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:42:07,901 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:42:07,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s 2026-02-10T11:42:07,905 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s 2026-02-10T11:42:07,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:42:07,908 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:42:07,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3 2026-02-10T11:42:07,911 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3 2026-02-10T11:42:07,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3 2026-02-10T11:42:07,915 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3 2026-02-10T11:42:07,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:42:07,918 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:42:07,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:42:07,921 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:42:07,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:42:07,925 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:42:07,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3 2026-02-10T11:42:07,929 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3 2026-02-10T11:42:07,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:42:07,932 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:42:07,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:42:07,935 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:42:07,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:42:07,939 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:42:07,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:42:07,943 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:42:07,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:42:07,949 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:42:07,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3 2026-02-10T11:42:07,952 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3 2026-02-10T11:42:07,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3 2026-02-10T11:42:07,957 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3 2026-02-10T11:42:07,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:42:07,961 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:42:07,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:42:07,965 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:42:07,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s 2026-02-10T11:42:07,968 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s 2026-02-10T11:42:07,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:42:07,971 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:42:07,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2 2026-02-10T11:42:07,975 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2 2026-02-10T11:42:07,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:42:07,979 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:42:07,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:42:07,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:42:07,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:42:07,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:42:07,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22 2026-02-10T11:42:07,989 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22 2026-02-10T11:42:07,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF 2026-02-10T11:42:07,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX 2026-02-10T11:42:07,995 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX 2026-02-10T11:42:07,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:42:07,998 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- 2026-02-10T11:42:08,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:42:08,002 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+ 2026-02-10T11:42:08,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:42:08,006 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- 2026-02-10T11:42:08,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg 2026-02-10T11:42:08,009 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg 2026-02-10T11:42:08,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T 2026-02-10T11:42:08,013 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T 2026-02-10T11:42:08,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt 2026-02-10T11:42:08,016 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt 2026-02-10T11:42:08,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG 2026-02-10T11:42:08,020 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG 2026-02-10T11:42:08,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:42:08,024 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+ 2026-02-10T11:42:08,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt 2026-02-10T11:42:08,027 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt 2026-02-10T11:42:08,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:42:08,031 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- 2026-02-10T11:42:08,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg 2026-02-10T11:42:08,035 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg 2026-02-10T11:42:08,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt 2026-02-10T11:42:08,038 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt 2026-02-10T11:42:08,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G 2026-02-10T11:42:08,042 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G 2026-02-10T11:42:08,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG 2026-02-10T11:42:08,046 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG 2026-02-10T11:42:08,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg 2026-02-10T11:42:08,049 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg 2026-02-10T11:42:08,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT 2026-02-10T11:42:08,053 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT 2026-02-10T11:42:08,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:42:08,057 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- 2026-02-10T11:42:08,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36 2026-02-10T11:42:08,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1 2026-02-10T11:42:08,063 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1 2026-02-10T11:42:08,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10 2026-02-10T11:42:08,067 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10 2026-02-10T11:42:08,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5 2026-02-10T11:42:08,070 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5 2026-02-10T11:42:08,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7 2026-02-10T11:42:08,074 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7 2026-02-10T11:42:08,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6 2026-02-10T11:42:08,078 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6 2026-02-10T11:42:08,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15 2026-02-10T11:42:08,081 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15 2026-02-10T11:42:08,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6 2026-02-10T11:42:08,085 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6 2026-02-10T11:42:08,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16 2026-02-10T11:42:08,088 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16 2026-02-10T11:42:08,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5 2026-02-10T11:42:08,092 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5 2026-02-10T11:42:08,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4 2026-02-10T11:42:08,096 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4 2026-02-10T11:42:08,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2 2026-02-10T11:42:08,100 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2 2026-02-10T11:42:08,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4 2026-02-10T11:42:08,103 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4 2026-02-10T11:42:08,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7 2026-02-10T11:42:08,107 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7 2026-02-10T11:42:08,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4 2026-02-10T11:42:08,110 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4 2026-02-10T11:42:08,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8 2026-02-10T11:42:08,114 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8 2026-02-10T11:42:08,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10 2026-02-10T11:42:08,117 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10 2026-02-10T11:42:08,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11 2026-02-10T11:42:08,121 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11 2026-02-10T11:42:08,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14 2026-02-10T11:42:08,124 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14 2026-02-10T11:42:08,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9 2026-02-10T11:42:08,128 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9 2026-02-10T11:42:08,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6 2026-02-10T11:42:08,131 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6 2026-02-10T11:42:08,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3 2026-02-10T11:42:08,135 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3 2026-02-10T11:42:08,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14 2026-02-10T11:42:08,138 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14 2026-02-10T11:42:08,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15 2026-02-10T11:42:08,142 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15 2026-02-10T11:42:08,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12 2026-02-10T11:42:08,145 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12 2026-02-10T11:42:08,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13 2026-02-10T11:42:08,149 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13 2026-02-10T11:42:08,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1 2026-02-10T11:42:08,153 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1 2026-02-10T11:42:08,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3 2026-02-10T11:42:08,156 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3 2026-02-10T11:42:08,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4 2026-02-10T11:42:08,160 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4 2026-02-10T11:42:08,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11 2026-02-10T11:42:08,163 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11 2026-02-10T11:42:08,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3 2026-02-10T11:42:08,168 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3 2026-02-10T11:42:08,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1 2026-02-10T11:42:08,172 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1 2026-02-10T11:42:08,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12 2026-02-10T11:42:08,176 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12 2026-02-10T11:42:08,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5 2026-02-10T11:42:08,179 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5 2026-02-10T11:42:08,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2 2026-02-10T11:42:08,183 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2 2026-02-10T11:42:08,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8 2026-02-10T11:42:08,187 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8 2026-02-10T11:42:08,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9 2026-02-10T11:42:08,190 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9 2026-02-10T11:42:08,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13 2026-02-10T11:42:08,194 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13 2026-02-10T11:42:08,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2 2026-02-10T11:42:08,197 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2 2026-02-10T11:42:08,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10 2026-02-10T11:42:08,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2 2026-02-10T11:42:08,203 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2 2026-02-10T11:42:08,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9 2026-02-10T11:42:08,206 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9 2026-02-10T11:42:08,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6 2026-02-10T11:42:08,210 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6 2026-02-10T11:42:08,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1 2026-02-10T11:42:08,213 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1 2026-02-10T11:42:08,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2 2026-02-10T11:42:08,217 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2 2026-02-10T11:42:08,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1 2026-02-10T11:42:08,220 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1 2026-02-10T11:42:08,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7 2026-02-10T11:42:08,224 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7 2026-02-10T11:42:08,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10 2026-02-10T11:42:08,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10 2026-02-10T11:42:08,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5 2026-02-10T11:42:08,230 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5 2026-02-10T11:42:08,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4 2026-02-10T11:42:08,234 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4 2026-02-10T11:42:08,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10 2026-02-10T11:42:08,238 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10 2026-02-10T11:42:08,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9 2026-02-10T11:42:08,241 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9 2026-02-10T11:42:08,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3 2026-02-10T11:42:08,245 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3 2026-02-10T11:42:08,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5 2026-02-10T11:42:08,248 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5 2026-02-10T11:42:08,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4 2026-02-10T11:42:08,251 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4 2026-02-10T11:42:08,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7 2026-02-10T11:42:08,255 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7 2026-02-10T11:42:08,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8 2026-02-10T11:42:08,259 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8 2026-02-10T11:42:08,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8 2026-02-10T11:42:08,262 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8 2026-02-10T11:42:08,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6 2026-02-10T11:42:08,266 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6 2026-02-10T11:42:08,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3 2026-02-10T11:42:08,269 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3 2026-02-10T11:42:08,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC 2026-02-10T11:42:08,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:42:08,275 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:42:08,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20 2026-02-10T11:42:08,278 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20 2026-02-10T11:42:08,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8 2026-02-10T11:42:08,281 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8 2026-02-10T11:42:08,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh 2026-02-10T11:42:08,285 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh 2026-02-10T11:42:08,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc 2026-02-10T11:42:08,288 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc 2026-02-10T11:42:08,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh- 2026-02-10T11:42:08,292 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh- 2026-02-10T11:42:08,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19 2026-02-10T11:42:08,296 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19 2026-02-10T11:42:08,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:42:08,299 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:42:08,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:42:08,302 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:42:08,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf 2026-02-10T11:42:08,306 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf 2026-02-10T11:42:08,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co 2026-02-10T11:42:08,309 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co 2026-02-10T11:42:08,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots 2026-02-10T11:42:08,313 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots 2026-02-10T11:42:08,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:42:08,316 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:42:08,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07 2026-02-10T11:42:08,319 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07 2026-02-10T11:42:08,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:42:08,323 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:42:08,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2 2026-02-10T11:42:08,326 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2 2026-02-10T11:42:08,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:42:08,330 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:42:08,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4 2026-02-10T11:42:08,333 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4 2026-02-10T11:42:08,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f- 2026-02-10T11:42:08,336 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f- 2026-02-10T11:42:08,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O 2026-02-10T11:42:08,340 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O 2026-02-10T11:42:08,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2 2026-02-10T11:42:08,343 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2 2026-02-10T11:42:08,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2 2026-02-10T11:42:08,347 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2 2026-02-10T11:42:08,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3 2026-02-10T11:42:08,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3 2026-02-10T11:42:08,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17 2026-02-10T11:42:08,354 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17 2026-02-10T11:42:08,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22 2026-02-10T11:42:08,358 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22 2026-02-10T11:42:08,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14 2026-02-10T11:42:08,362 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14 2026-02-10T11:42:08,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13 2026-02-10T11:42:08,366 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13 2026-02-10T11:42:08,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H 2026-02-10T11:42:08,369 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H 2026-02-10T11:42:08,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:42:08,373 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:42:08,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS 2026-02-10T11:42:08,376 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS 2026-02-10T11:42:08,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl- 2026-02-10T11:42:08,379 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl- 2026-02-10T11:42:08,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:42:08,383 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:42:08,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S 2026-02-10T11:42:08,387 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S 2026-02-10T11:42:08,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf 2026-02-10T11:42:08,390 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf 2026-02-10T11:42:08,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04 2026-02-10T11:42:08,394 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04 2026-02-10T11:42:08,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3 2026-02-10T11:42:08,398 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3 2026-02-10T11:42:08,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02 2026-02-10T11:42:08,402 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02 2026-02-10T11:42:08,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco 2026-02-10T11:42:08,405 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco 2026-02-10T11:42:08,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16 2026-02-10T11:42:08,408 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16 2026-02-10T11:42:08,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h 2026-02-10T11:42:08,412 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h 2026-02-10T11:42:08,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18 2026-02-10T11:42:08,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18 2026-02-10T11:42:08,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:42:08,418 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:42:08,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6 2026-02-10T11:42:08,422 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6 2026-02-10T11:42:08,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:42:08,426 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:42:08,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4 2026-02-10T11:42:08,429 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4 2026-02-10T11:42:08,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2 2026-02-10T11:42:08,433 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2 2026-02-10T11:42:08,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11 2026-02-10T11:42:08,437 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11 2026-02-10T11:42:08,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:42:08,440 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:42:08,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:42:08,444 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:42:08,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01 2026-02-10T11:42:08,447 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01 2026-02-10T11:42:08,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10 2026-02-10T11:42:08,451 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10 2026-02-10T11:42:08,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:42:08,454 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:42:08,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:42:08,457 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:42:08,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts 2026-02-10T11:42:08,461 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts 2026-02-10T11:42:08,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2 2026-02-10T11:42:08,464 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2 2026-02-10T11:42:08,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5 2026-02-10T11:42:08,468 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5 2026-02-10T11:42:08,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12 2026-02-10T11:42:08,471 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12 2026-02-10T11:42:08,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06 2026-02-10T11:42:08,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06 2026-02-10T11:42:08,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:42:08,481 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:42:08,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15 2026-02-10T11:42:08,485 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15 2026-02-10T11:42:08,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7 2026-02-10T11:42:08,488 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7 2026-02-10T11:42:08,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O 2026-02-10T11:42:08,492 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O 2026-02-10T11:42:08,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08 2026-02-10T11:42:08,495 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08 2026-02-10T11:42:08,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:42:08,499 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:42:08,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05 2026-02-10T11:42:08,502 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05 2026-02-10T11:42:08,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:42:08,506 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:42:08,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f 2026-02-10T11:42:08,509 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f 2026-02-10T11:42:08,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl 2026-02-10T11:42:08,513 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl 2026-02-10T11:42:08,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2 2026-02-10T11:42:08,517 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2 2026-02-10T11:42:08,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts 2026-02-10T11:42:08,521 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts 2026-02-10T11:42:08,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:42:08,524 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:42:08,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03 2026-02-10T11:42:08,528 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03 2026-02-10T11:42:08,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:42:08,531 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:42:08,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:42:08,534 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:42:08,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts 2026-02-10T11:42:08,538 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts 2026-02-10T11:42:08,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2 2026-02-10T11:42:08,541 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2 2026-02-10T11:42:08,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o 2026-02-10T11:42:08,545 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o 2026-02-10T11:42:08,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:42:08,548 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:42:08,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f 2026-02-10T11:42:08,551 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f 2026-02-10T11:42:08,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3 2026-02-10T11:42:08,555 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3 2026-02-10T11:42:08,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21 2026-02-10T11:42:08,558 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21 2026-02-10T11:42:08,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn 2026-02-10T11:42:08,561 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn 2026-02-10T11:42:08,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl 2026-02-10T11:42:08,565 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl 2026-02-10T11:42:08,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5 2026-02-10T11:42:08,568 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5 2026-02-10T11:42:08,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH 2026-02-10T11:42:08,571 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH 2026-02-10T11:42:08,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09 2026-02-10T11:42:08,574 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09 2026-02-10T11:42:08,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel 2026-02-10T11:42:08,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3 2026-02-10T11:42:08,580 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3 2026-02-10T11:42:08,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42 2026-02-10T11:42:08,583 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42 2026-02-10T11:42:08,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71 2026-02-10T11:42:08,586 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71 2026-02-10T11:42:08,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:42:08,590 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:42:08,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0 2026-02-10T11:42:08,593 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0 2026-02-10T11:42:08,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42 2026-02-10T11:42:08,597 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42 2026-02-10T11:42:08,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42 2026-02-10T11:42:08,600 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42 2026-02-10T11:42:08,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3 2026-02-10T11:42:08,604 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3 2026-02-10T11:42:08,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:42:08,607 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:42:08,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1 2026-02-10T11:42:08,611 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1 2026-02-10T11:42:08,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0 2026-02-10T11:42:08,614 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0 2026-02-10T11:42:08,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0 2026-02-10T11:42:08,618 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0 2026-02-10T11:42:08,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2 2026-02-10T11:42:08,621 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2 2026-02-10T11:42:08,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4 2026-02-10T11:42:08,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4 2026-02-10T11:42:08,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43 2026-02-10T11:42:08,628 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43 2026-02-10T11:42:08,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71 2026-02-10T11:42:08,631 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71 2026-02-10T11:42:08,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:42:08,635 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:42:08,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2 2026-02-10T11:42:08,638 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2 2026-02-10T11:42:08,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41 2026-02-10T11:42:08,642 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41 2026-02-10T11:42:08,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72 2026-02-10T11:42:08,645 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72 2026-02-10T11:42:08,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1 2026-02-10T11:42:08,649 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1 2026-02-10T11:42:08,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72 2026-02-10T11:42:08,652 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72 2026-02-10T11:42:08,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41 2026-02-10T11:42:08,655 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41 2026-02-10T11:42:08,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2 2026-02-10T11:42:08,659 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2 2026-02-10T11:42:08,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1 2026-02-10T11:42:08,662 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1 2026-02-10T11:42:08,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41 2026-02-10T11:42:08,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41 2026-02-10T11:42:08,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3 2026-02-10T11:42:08,669 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3 2026-02-10T11:42:08,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2 2026-02-10T11:42:08,672 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2 2026-02-10T11:42:08,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0 2026-02-10T11:42:08,676 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0 2026-02-10T11:42:08,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0 2026-02-10T11:42:08,679 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0 2026-02-10T11:42:08,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2 2026-02-10T11:42:08,683 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2 2026-02-10T11:42:08,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66 2026-02-10T11:42:08,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A 2026-02-10T11:42:08,691 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A 2026-02-10T11:42:08,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B 2026-02-10T11:42:08,695 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B 2026-02-10T11:42:08,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B 2026-02-10T11:42:08,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B 2026-02-10T11:42:08,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A 2026-02-10T11:42:08,701 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A 2026-02-10T11:42:08,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07 2026-02-10T11:42:08,705 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07 2026-02-10T11:42:08,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A 2026-02-10T11:42:08,708 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A 2026-02-10T11:42:08,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A 2026-02-10T11:42:08,712 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A 2026-02-10T11:42:08,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B 2026-02-10T11:42:08,715 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B 2026-02-10T11:42:08,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A 2026-02-10T11:42:08,718 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A 2026-02-10T11:42:08,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A 2026-02-10T11:42:08,722 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A 2026-02-10T11:42:08,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B 2026-02-10T11:42:08,725 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B 2026-02-10T11:42:08,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B 2026-02-10T11:42:08,728 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B 2026-02-10T11:42:08,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36 2026-02-10T11:42:08,731 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36 2026-02-10T11:42:08,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B 2026-02-10T11:42:08,735 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B 2026-02-10T11:42:08,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02 2026-02-10T11:42:08,738 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02 2026-02-10T11:42:08,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B 2026-02-10T11:42:08,741 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B 2026-02-10T11:42:08,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A 2026-02-10T11:42:08,745 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A 2026-02-10T11:42:08,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A 2026-02-10T11:42:08,748 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A 2026-02-10T11:42:08,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B 2026-02-10T11:42:08,751 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B 2026-02-10T11:42:08,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64 2026-02-10T11:42:08,755 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64 2026-02-10T11:42:08,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A 2026-02-10T11:42:08,758 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A 2026-02-10T11:42:08,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12 2026-02-10T11:42:08,762 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12 2026-02-10T11:42:08,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A 2026-02-10T11:42:08,765 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A 2026-02-10T11:42:08,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A 2026-02-10T11:42:08,768 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A 2026-02-10T11:42:08,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A 2026-02-10T11:42:08,772 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A 2026-02-10T11:42:08,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B 2026-02-10T11:42:08,776 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B 2026-02-10T11:42:08,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B 2026-02-10T11:42:08,780 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B 2026-02-10T11:42:08,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B 2026-02-10T11:42:08,784 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B 2026-02-10T11:42:08,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A 2026-02-10T11:42:08,787 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A 2026-02-10T11:42:08,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27 2026-02-10T11:42:08,790 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27 2026-02-10T11:42:08,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A 2026-02-10T11:42:08,794 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A 2026-02-10T11:42:08,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18 2026-02-10T11:42:08,799 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18 2026-02-10T11:42:08,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B 2026-02-10T11:42:08,802 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B 2026-02-10T11:42:08,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A 2026-02-10T11:42:08,806 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A 2026-02-10T11:42:08,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A 2026-02-10T11:42:08,810 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A 2026-02-10T11:42:08,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34 2026-02-10T11:42:08,813 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34 2026-02-10T11:42:08,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13 2026-02-10T11:42:08,817 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13 2026-02-10T11:42:08,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A 2026-02-10T11:42:08,820 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A 2026-02-10T11:42:08,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62 2026-02-10T11:42:08,823 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62 2026-02-10T11:42:08,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A 2026-02-10T11:42:08,827 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A 2026-02-10T11:42:08,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B 2026-02-10T11:42:08,830 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B 2026-02-10T11:42:08,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B 2026-02-10T11:42:08,834 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B 2026-02-10T11:42:08,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A 2026-02-10T11:42:08,837 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A 2026-02-10T11:42:08,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B 2026-02-10T11:42:08,841 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B 2026-02-10T11:42:08,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A 2026-02-10T11:42:08,845 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A 2026-02-10T11:42:08,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A 2026-02-10T11:42:08,849 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A 2026-02-10T11:42:08,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B 2026-02-10T11:42:08,852 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B 2026-02-10T11:42:08,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48 2026-02-10T11:42:08,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48 2026-02-10T11:42:08,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B 2026-02-10T11:42:08,860 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B 2026-02-10T11:42:08,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45 2026-02-10T11:42:08,864 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45 2026-02-10T11:42:08,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46 2026-02-10T11:42:08,868 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46 2026-02-10T11:42:08,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B 2026-02-10T11:42:08,872 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B 2026-02-10T11:42:08,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A 2026-02-10T11:42:08,875 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A 2026-02-10T11:42:08,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66 2026-02-10T11:42:08,879 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66 2026-02-10T11:42:08,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B 2026-02-10T11:42:08,882 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B 2026-02-10T11:42:08,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38 2026-02-10T11:42:08,886 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38 2026-02-10T11:42:08,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49 2026-02-10T11:42:08,890 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49 2026-02-10T11:42:08,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A 2026-02-10T11:42:08,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A 2026-02-10T11:42:08,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A 2026-02-10T11:42:08,897 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A 2026-02-10T11:42:08,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A 2026-02-10T11:42:08,900 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A 2026-02-10T11:42:08,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05 2026-02-10T11:42:08,903 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05 2026-02-10T11:42:08,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20 2026-02-10T11:42:08,908 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20 2026-02-10T11:42:08,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01 2026-02-10T11:42:08,913 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01 2026-02-10T11:42:08,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A 2026-02-10T11:42:08,921 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A 2026-02-10T11:42:08,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55 2026-02-10T11:42:08,927 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55 2026-02-10T11:42:08,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A 2026-02-10T11:42:08,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A 2026-02-10T11:42:08,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61 2026-02-10T11:42:08,935 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61 2026-02-10T11:42:08,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B 2026-02-10T11:42:08,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B 2026-02-10T11:42:08,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A 2026-02-10T11:42:08,941 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A 2026-02-10T11:42:08,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B 2026-02-10T11:42:08,945 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B 2026-02-10T11:42:08,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59 2026-02-10T11:42:08,948 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59 2026-02-10T11:42:08,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08 2026-02-10T11:42:08,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08 2026-02-10T11:42:08,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B 2026-02-10T11:42:08,955 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B 2026-02-10T11:42:08,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B 2026-02-10T11:42:08,958 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B 2026-02-10T11:42:08,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A 2026-02-10T11:42:08,961 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A 2026-02-10T11:42:08,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B 2026-02-10T11:42:08,965 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B 2026-02-10T11:42:08,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A 2026-02-10T11:42:08,969 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A 2026-02-10T11:42:08,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B 2026-02-10T11:42:08,972 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B 2026-02-10T11:42:08,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41 2026-02-10T11:42:08,976 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41 2026-02-10T11:42:08,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63 2026-02-10T11:42:08,979 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63 2026-02-10T11:42:08,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B 2026-02-10T11:42:08,983 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B 2026-02-10T11:42:08,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B 2026-02-10T11:42:08,988 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B 2026-02-10T11:42:08,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B 2026-02-10T11:42:08,993 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B 2026-02-10T11:42:08,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B 2026-02-10T11:42:08,997 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B 2026-02-10T11:42:08,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04 2026-02-10T11:42:09,000 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04 2026-02-10T11:42:09,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A 2026-02-10T11:42:09,004 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A 2026-02-10T11:42:09,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A 2026-02-10T11:42:09,007 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A 2026-02-10T11:42:09,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16 2026-02-10T11:42:09,011 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16 2026-02-10T11:42:09,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A 2026-02-10T11:42:09,014 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A 2026-02-10T11:42:09,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B 2026-02-10T11:42:09,018 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B 2026-02-10T11:42:09,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B 2026-02-10T11:42:09,021 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B 2026-02-10T11:42:09,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A 2026-02-10T11:42:09,024 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A 2026-02-10T11:42:09,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B 2026-02-10T11:42:09,028 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B 2026-02-10T11:42:09,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A 2026-02-10T11:42:09,031 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A 2026-02-10T11:42:09,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B 2026-02-10T11:42:09,034 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B 2026-02-10T11:42:09,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A 2026-02-10T11:42:09,038 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A 2026-02-10T11:42:09,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44 2026-02-10T11:42:09,042 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44 2026-02-10T11:42:09,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A 2026-02-10T11:42:09,045 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A 2026-02-10T11:42:09,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B 2026-02-10T11:42:09,048 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B 2026-02-10T11:42:09,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A 2026-02-10T11:42:09,051 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A 2026-02-10T11:42:09,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25 2026-02-10T11:42:09,055 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25 2026-02-10T11:42:09,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30 2026-02-10T11:42:09,058 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30 2026-02-10T11:42:09,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54 2026-02-10T11:42:09,062 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54 2026-02-10T11:42:09,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B 2026-02-10T11:42:09,066 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B 2026-02-10T11:42:09,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B 2026-02-10T11:42:09,070 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B 2026-02-10T11:42:09,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A 2026-02-10T11:42:09,074 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A 2026-02-10T11:42:09,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B 2026-02-10T11:42:09,078 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B 2026-02-10T11:42:09,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B 2026-02-10T11:42:09,082 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B 2026-02-10T11:42:09,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B 2026-02-10T11:42:09,087 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B 2026-02-10T11:42:09,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A 2026-02-10T11:42:09,090 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A 2026-02-10T11:42:09,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B 2026-02-10T11:42:09,094 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B 2026-02-10T11:42:09,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53 2026-02-10T11:42:09,100 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53 2026-02-10T11:42:09,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B 2026-02-10T11:42:09,103 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B 2026-02-10T11:42:09,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B 2026-02-10T11:42:09,106 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B 2026-02-10T11:42:09,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B 2026-02-10T11:42:09,110 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B 2026-02-10T11:42:09,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43 2026-02-10T11:42:09,113 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43 2026-02-10T11:42:09,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57 2026-02-10T11:42:09,116 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57 2026-02-10T11:42:09,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B 2026-02-10T11:42:09,120 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B 2026-02-10T11:42:09,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56 2026-02-10T11:42:09,123 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56 2026-02-10T11:42:09,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09 2026-02-10T11:42:09,126 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09 2026-02-10T11:42:09,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37 2026-02-10T11:42:09,130 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37 2026-02-10T11:42:09,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22 2026-02-10T11:42:09,133 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22 2026-02-10T11:42:09,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A 2026-02-10T11:42:09,137 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A 2026-02-10T11:42:09,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A 2026-02-10T11:42:09,140 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A 2026-02-10T11:42:09,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A 2026-02-10T11:42:09,144 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A 2026-02-10T11:42:09,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A 2026-02-10T11:42:09,148 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A 2026-02-10T11:42:09,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23 2026-02-10T11:42:09,154 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23 2026-02-10T11:42:09,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B 2026-02-10T11:42:09,158 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B 2026-02-10T11:42:09,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A 2026-02-10T11:42:09,162 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A 2026-02-10T11:42:09,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A 2026-02-10T11:42:09,166 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A 2026-02-10T11:42:09,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A 2026-02-10T11:42:09,170 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A 2026-02-10T11:42:09,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A 2026-02-10T11:42:09,173 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A 2026-02-10T11:42:09,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A 2026-02-10T11:42:09,176 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A 2026-02-10T11:42:09,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B 2026-02-10T11:42:09,180 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B 2026-02-10T11:42:09,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A 2026-02-10T11:42:09,183 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A 2026-02-10T11:42:09,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10 2026-02-10T11:42:09,186 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10 2026-02-10T11:42:09,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47 2026-02-10T11:42:09,190 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47 2026-02-10T11:42:09,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06 2026-02-10T11:42:09,193 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06 2026-02-10T11:42:09,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28 2026-02-10T11:42:09,197 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28 2026-02-10T11:42:09,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B 2026-02-10T11:42:09,200 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B 2026-02-10T11:42:09,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26 2026-02-10T11:42:09,204 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26 2026-02-10T11:42:09,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A 2026-02-10T11:42:09,207 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A 2026-02-10T11:42:09,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A 2026-02-10T11:42:09,211 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A 2026-02-10T11:42:09,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A 2026-02-10T11:42:09,214 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A 2026-02-10T11:42:09,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40 2026-02-10T11:42:09,217 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40 2026-02-10T11:42:09,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50 2026-02-10T11:42:09,221 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50 2026-02-10T11:42:09,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A 2026-02-10T11:42:09,225 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A 2026-02-10T11:42:09,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B 2026-02-10T11:42:09,230 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B 2026-02-10T11:42:09,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51 2026-02-10T11:42:09,238 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51 2026-02-10T11:42:09,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B 2026-02-10T11:42:09,242 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B 2026-02-10T11:42:09,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11 2026-02-10T11:42:09,245 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11 2026-02-10T11:42:09,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32 2026-02-10T11:42:09,248 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32 2026-02-10T11:42:09,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B 2026-02-10T11:42:09,252 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B 2026-02-10T11:42:09,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A 2026-02-10T11:42:09,255 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A 2026-02-10T11:42:09,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B 2026-02-10T11:42:09,259 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B 2026-02-10T11:42:09,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A 2026-02-10T11:42:09,262 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A 2026-02-10T11:42:09,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24 2026-02-10T11:42:09,265 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24 2026-02-10T11:42:09,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A 2026-02-10T11:42:09,269 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A 2026-02-10T11:42:09,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15 2026-02-10T11:42:09,272 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15 2026-02-10T11:42:09,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B 2026-02-10T11:42:09,275 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B 2026-02-10T11:42:09,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B 2026-02-10T11:42:09,278 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B 2026-02-10T11:42:09,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B 2026-02-10T11:42:09,282 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B 2026-02-10T11:42:09,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03 2026-02-10T11:42:09,285 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03 2026-02-10T11:42:09,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A 2026-02-10T11:42:09,289 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A 2026-02-10T11:42:09,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17 2026-02-10T11:42:09,292 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17 2026-02-10T11:42:09,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B 2026-02-10T11:42:09,297 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B 2026-02-10T11:42:09,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B 2026-02-10T11:42:09,301 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B 2026-02-10T11:42:09,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21 2026-02-10T11:42:09,305 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21 2026-02-10T11:42:09,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A 2026-02-10T11:42:09,309 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A 2026-02-10T11:42:09,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A 2026-02-10T11:42:09,314 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A 2026-02-10T11:42:09,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B 2026-02-10T11:42:09,318 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B 2026-02-10T11:42:09,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B 2026-02-10T11:42:09,322 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B 2026-02-10T11:42:09,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B 2026-02-10T11:42:09,326 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B 2026-02-10T11:42:09,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60 2026-02-10T11:42:09,330 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60 2026-02-10T11:42:09,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A 2026-02-10T11:42:09,334 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A 2026-02-10T11:42:09,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52 2026-02-10T11:42:09,338 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52 2026-02-10T11:42:09,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42 2026-02-10T11:42:09,342 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42 2026-02-10T11:42:09,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A 2026-02-10T11:42:09,346 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A 2026-02-10T11:42:09,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39 2026-02-10T11:42:09,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39 2026-02-10T11:42:09,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35 2026-02-10T11:42:09,355 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35 2026-02-10T11:42:09,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B 2026-02-10T11:42:09,359 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B 2026-02-10T11:42:09,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14 2026-02-10T11:42:09,363 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14 2026-02-10T11:42:09,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B 2026-02-10T11:42:09,368 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B 2026-02-10T11:42:09,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B 2026-02-10T11:42:09,373 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B 2026-02-10T11:42:09,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19 2026-02-10T11:42:09,377 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19 2026-02-10T11:42:09,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33 2026-02-10T11:42:09,382 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33 2026-02-10T11:42:09,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A 2026-02-10T11:42:09,386 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A 2026-02-10T11:42:09,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B 2026-02-10T11:42:09,390 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B 2026-02-10T11:42:09,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B 2026-02-10T11:42:09,394 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B 2026-02-10T11:42:09,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65 2026-02-10T11:42:09,397 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65 2026-02-10T11:42:09,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58 2026-02-10T11:42:09,401 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58 2026-02-10T11:42:09,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29 2026-02-10T11:42:09,404 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29 2026-02-10T11:42:09,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A 2026-02-10T11:42:09,408 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A 2026-02-10T11:42:09,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B 2026-02-10T11:42:09,411 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B 2026-02-10T11:42:09,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A 2026-02-10T11:42:09,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A 2026-02-10T11:42:09,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B 2026-02-10T11:42:09,418 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B 2026-02-10T11:42:09,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A 2026-02-10T11:42:09,422 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A 2026-02-10T11:42:09,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31 2026-02-10T11:42:09,425 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31 2026-02-10T11:42:09,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16 2026-02-10T11:42:09,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228 2026-02-10T11:42:09,431 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228 2026-02-10T11:42:09,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A 2026-02-10T11:42:09,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A 2026-02-10T11:42:09,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A 2026-02-10T11:42:09,438 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A 2026-02-10T11:42:09,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A 2026-02-10T11:42:09,441 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A 2026-02-10T11:42:09,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231 2026-02-10T11:42:09,445 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231 2026-02-10T11:42:09,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214 2026-02-10T11:42:09,448 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214 2026-02-10T11:42:09,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212 2026-02-10T11:42:09,451 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212 2026-02-10T11:42:09,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230 2026-02-10T11:42:09,455 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230 2026-02-10T11:42:09,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B 2026-02-10T11:42:09,458 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B 2026-02-10T11:42:09,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187 2026-02-10T11:42:09,461 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187 2026-02-10T11:42:09,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147 2026-02-10T11:42:09,464 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147 2026-02-10T11:42:09,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213 2026-02-10T11:42:09,467 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213 2026-02-10T11:42:09,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B 2026-02-10T11:42:09,471 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B 2026-02-10T11:42:09,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A 2026-02-10T11:42:09,474 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A 2026-02-10T11:42:09,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A 2026-02-10T11:42:09,479 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A 2026-02-10T11:42:09,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A 2026-02-10T11:42:09,482 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A 2026-02-10T11:42:09,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B 2026-02-10T11:42:09,486 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B 2026-02-10T11:42:09,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A 2026-02-10T11:42:09,489 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A 2026-02-10T11:42:09,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A 2026-02-10T11:42:09,492 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A 2026-02-10T11:42:09,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148 2026-02-10T11:42:09,496 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148 2026-02-10T11:42:09,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150 2026-02-10T11:42:09,499 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150 2026-02-10T11:42:09,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229 2026-02-10T11:42:09,502 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229 2026-02-10T11:42:09,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B 2026-02-10T11:42:09,506 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B 2026-02-10T11:42:09,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B 2026-02-10T11:42:09,509 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B 2026-02-10T11:42:09,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B 2026-02-10T11:42:09,513 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B 2026-02-10T11:42:09,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A 2026-02-10T11:42:09,516 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A 2026-02-10T11:42:09,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008 2026-02-10T11:42:09,519 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008 2026-02-10T11:42:09,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B 2026-02-10T11:42:09,523 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B 2026-02-10T11:42:09,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202 2026-02-10T11:42:09,527 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202 2026-02-10T11:42:09,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B 2026-02-10T11:42:09,531 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B 2026-02-10T11:42:09,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152 2026-02-10T11:42:09,534 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152 2026-02-10T11:42:09,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A 2026-02-10T11:42:09,537 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A 2026-02-10T11:42:09,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B 2026-02-10T11:42:09,541 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B 2026-02-10T11:42:09,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227 2026-02-10T11:42:09,544 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227 2026-02-10T11:42:09,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A 2026-02-10T11:42:09,547 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A 2026-02-10T11:42:09,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A 2026-02-10T11:42:09,550 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A 2026-02-10T11:42:09,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B 2026-02-10T11:42:09,553 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B 2026-02-10T11:42:09,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B 2026-02-10T11:42:09,557 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B 2026-02-10T11:42:09,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A 2026-02-10T11:42:09,560 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A 2026-02-10T11:42:09,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B 2026-02-10T11:42:09,563 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B 2026-02-10T11:42:09,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144 2026-02-10T11:42:09,567 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144 2026-02-10T11:42:09,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B 2026-02-10T11:42:09,570 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B 2026-02-10T11:42:09,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B 2026-02-10T11:42:09,578 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B 2026-02-10T11:42:09,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A 2026-02-10T11:42:09,581 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A 2026-02-10T11:42:09,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A 2026-02-10T11:42:09,584 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A 2026-02-10T11:42:09,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B 2026-02-10T11:42:09,588 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B 2026-02-10T11:42:09,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A 2026-02-10T11:42:09,591 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A 2026-02-10T11:42:09,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B 2026-02-10T11:42:09,595 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B 2026-02-10T11:42:09,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27 2026-02-10T11:42:09,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5 2026-02-10T11:42:09,600 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5 2026-02-10T11:42:09,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:42:09,604 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:42:09,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:42:09,607 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:42:09,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:42:09,611 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:42:09,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op 2026-02-10T11:42:09,614 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op 2026-02-10T11:42:09,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:42:09,618 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:42:09,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:42:09,621 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:42:09,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm 2026-02-10T11:42:09,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm 2026-02-10T11:42:09,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:42:09,628 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:42:09,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c 2026-02-10T11:42:09,632 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c 2026-02-10T11:42:09,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:42:09,636 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:42:09,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:42:09,640 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:42:09,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:42:09,643 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:42:09,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O 2026-02-10T11:42:09,647 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O 2026-02-10T11:42:09,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:42:09,650 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:42:09,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:42:09,654 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:42:09,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es 2026-02-10T11:42:09,657 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es 2026-02-10T11:42:09,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:42:09,661 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:42:09,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:42:09,665 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:42:09,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:42:09,668 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:42:09,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b 2026-02-10T11:42:09,672 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b 2026-02-10T11:42:09,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4 2026-02-10T11:42:09,676 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4 2026-02-10T11:42:09,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:42:09,680 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:42:09,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3 2026-02-10T11:42:09,683 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3 2026-02-10T11:42:09,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6 2026-02-10T11:42:09,687 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6 2026-02-10T11:42:09,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:42:09,690 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:42:09,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20 2026-02-10T11:42:09,694 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20 2026-02-10T11:42:09,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:42:09,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:42:09,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2 2026-02-10T11:42:09,701 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2 2026-02-10T11:42:09,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:42:09,705 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:42:09,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA 2026-02-10T11:42:09,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18 2026-02-10T11:42:09,711 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18 2026-02-10T11:42:09,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n 2026-02-10T11:42:09,715 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n 2026-02-10T11:42:09,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o 2026-02-10T11:42:09,718 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o 2026-02-10T11:42:09,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24 2026-02-10T11:42:09,722 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24 2026-02-10T11:42:09,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si- 2026-02-10T11:42:09,726 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si- 2026-02-10T11:42:09,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15 2026-02-10T11:42:09,729 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15 2026-02-10T11:42:09,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n 2026-02-10T11:42:09,733 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n 2026-02-10T11:42:09,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21 2026-02-10T11:42:09,736 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21 2026-02-10T11:42:09,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17 2026-02-10T11:42:09,740 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17 2026-02-10T11:42:09,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n 2026-02-10T11:42:09,744 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n 2026-02-10T11:42:09,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p- 2026-02-10T11:42:09,747 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p- 2026-02-10T11:42:09,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13 2026-02-10T11:42:09,751 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13 2026-02-10T11:42:09,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n 2026-02-10T11:42:09,754 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n 2026-02-10T11:42:09,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n 2026-02-10T11:42:09,757 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n 2026-02-10T11:42:09,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n 2026-02-10T11:42:09,761 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n 2026-02-10T11:42:09,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22 2026-02-10T11:42:09,765 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22 2026-02-10T11:42:09,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n 2026-02-10T11:42:09,768 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n 2026-02-10T11:42:09,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14 2026-02-10T11:42:09,771 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14 2026-02-10T11:42:09,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f 2026-02-10T11:42:09,775 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f 2026-02-10T11:42:09,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n 2026-02-10T11:42:09,778 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n 2026-02-10T11:42:09,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n 2026-02-10T11:42:09,782 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n 2026-02-10T11:42:09,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n 2026-02-10T11:42:09,785 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n 2026-02-10T11:42:09,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8 2026-02-10T11:42:09,789 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8 2026-02-10T11:42:09,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11 2026-02-10T11:42:09,792 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11 2026-02-10T11:42:09,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20 2026-02-10T11:42:09,796 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20 2026-02-10T11:42:09,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23 2026-02-10T11:42:09,799 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23 2026-02-10T11:42:09,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si 2026-02-10T11:42:09,802 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si 2026-02-10T11:42:09,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25 2026-02-10T11:42:09,806 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25 2026-02-10T11:42:09,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n 2026-02-10T11:42:09,809 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n 2026-02-10T11:42:09,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9 2026-02-10T11:42:09,812 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9 2026-02-10T11:42:09,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s 2026-02-10T11:42:09,815 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s 2026-02-10T11:42:09,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12 2026-02-10T11:42:09,818 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12 2026-02-10T11:42:09,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n 2026-02-10T11:42:09,822 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n 2026-02-10T11:42:09,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c 2026-02-10T11:42:09,825 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c 2026-02-10T11:42:09,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n 2026-02-10T11:42:09,828 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n 2026-02-10T11:42:09,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n 2026-02-10T11:42:09,832 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n 2026-02-10T11:42:09,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl 2026-02-10T11:42:09,835 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl 2026-02-10T11:42:09,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19 2026-02-10T11:42:09,839 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19 2026-02-10T11:42:09,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n 2026-02-10T11:42:09,842 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n 2026-02-10T11:42:09,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10 2026-02-10T11:42:09,845 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10 2026-02-10T11:42:09,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:42:09,849 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:42:09,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16 2026-02-10T11:42:09,852 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16 2026-02-10T11:42:09,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p 2026-02-10T11:42:09,855 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p 2026-02-10T11:42:09,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c- 2026-02-10T11:42:09,859 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c- 2026-02-10T11:42:09,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f- 2026-02-10T11:42:09,862 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f- 2026-02-10T11:42:09,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n 2026-02-10T11:42:09,866 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n 2026-02-10T11:42:09,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n 2026-02-10T11:42:09,869 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n 2026-02-10T11:42:09,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o- 2026-02-10T11:42:09,872 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o- 2026-02-10T11:42:09,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n 2026-02-10T11:42:09,876 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n 2026-02-10T11:42:09,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s- 2026-02-10T11:42:09,879 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s- 2026-02-10T11:42:09,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22 2026-02-10T11:42:09,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b 2026-02-10T11:42:09,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b 2026-02-10T11:42:09,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b 2026-02-10T11:42:09,889 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b 2026-02-10T11:42:09,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a 2026-02-10T11:42:09,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a 2026-02-10T11:42:09,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07 2026-02-10T11:42:09,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07 2026-02-10T11:42:09,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b 2026-02-10T11:42:09,899 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b 2026-02-10T11:42:09,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a 2026-02-10T11:42:09,903 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a 2026-02-10T11:42:09,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b 2026-02-10T11:42:09,906 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b 2026-02-10T11:42:09,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02 2026-02-10T11:42:09,909 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02 2026-02-10T11:42:09,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12 2026-02-10T11:42:09,913 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/12 2026-02-10T11:42:09,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b 2026-02-10T11:42:09,917 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b 2026-02-10T11:42:09,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a 2026-02-10T11:42:09,920 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a 2026-02-10T11:42:09,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a 2026-02-10T11:42:09,923 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a 2026-02-10T11:42:09,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b 2026-02-10T11:42:09,927 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b 2026-02-10T11:42:09,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b 2026-02-10T11:42:09,930 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b 2026-02-10T11:42:09,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18 2026-02-10T11:42:09,934 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18 2026-02-10T11:42:09,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13 2026-02-10T11:42:09,937 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/13 2026-02-10T11:42:09,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a 2026-02-10T11:42:09,941 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a 2026-02-10T11:42:09,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a 2026-02-10T11:42:09,944 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a 2026-02-10T11:42:09,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a 2026-02-10T11:42:09,947 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a 2026-02-10T11:42:09,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b 2026-02-10T11:42:09,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b 2026-02-10T11:42:09,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05 2026-02-10T11:42:09,954 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/05 2026-02-10T11:42:09,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20 2026-02-10T11:42:09,958 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20 2026-02-10T11:42:09,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01 2026-02-10T11:42:09,961 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/01 2026-02-10T11:42:09,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a 2026-02-10T11:42:09,964 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a 2026-02-10T11:42:09,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a 2026-02-10T11:42:09,968 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a 2026-02-10T11:42:09,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b 2026-02-10T11:42:09,971 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b 2026-02-10T11:42:09,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b 2026-02-10T11:42:09,975 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b 2026-02-10T11:42:09,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a 2026-02-10T11:42:09,978 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a 2026-02-10T11:42:09,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08 2026-02-10T11:42:09,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/08 2026-02-10T11:42:09,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b 2026-02-10T11:42:09,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b 2026-02-10T11:42:09,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a 2026-02-10T11:42:09,990 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a 2026-02-10T11:42:09,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04 2026-02-10T11:42:09,994 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/04 2026-02-10T11:42:09,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16 2026-02-10T11:42:09,997 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16 2026-02-10T11:42:09,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a 2026-02-10T11:42:10,000 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a 2026-02-10T11:42:10,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b 2026-02-10T11:42:10,004 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b 2026-02-10T11:42:10,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a 2026-02-10T11:42:10,007 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a 2026-02-10T11:42:10,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a 2026-02-10T11:42:10,010 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a 2026-02-10T11:42:10,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09 2026-02-10T11:42:10,014 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/09 2026-02-10T11:42:10,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22 2026-02-10T11:42:10,017 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22 2026-02-10T11:42:10,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10 2026-02-10T11:42:10,021 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10 2026-02-10T11:42:10,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06 2026-02-10T11:42:10,024 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06 2026-02-10T11:42:10,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a 2026-02-10T11:42:10,027 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a 2026-02-10T11:42:10,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a 2026-02-10T11:42:10,031 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a 2026-02-10T11:42:10,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a 2026-02-10T11:42:10,034 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a 2026-02-10T11:42:10,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a 2026-02-10T11:42:10,038 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a 2026-02-10T11:42:10,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b 2026-02-10T11:42:10,041 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b 2026-02-10T11:42:10,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11 2026-02-10T11:42:10,045 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/11 2026-02-10T11:42:10,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15 2026-02-10T11:42:10,048 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15 2026-02-10T11:42:10,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03 2026-02-10T11:42:10,051 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/03 2026-02-10T11:42:10,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17 2026-02-10T11:42:10,055 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17 2026-02-10T11:42:10,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a 2026-02-10T11:42:10,058 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a 2026-02-10T11:42:10,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21 2026-02-10T11:42:10,061 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21 2026-02-10T11:42:10,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a 2026-02-10T11:42:10,065 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a 2026-02-10T11:42:10,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a 2026-02-10T11:42:10,068 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a 2026-02-10T11:42:10,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a 2026-02-10T11:42:10,071 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a 2026-02-10T11:42:10,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14 2026-02-10T11:42:10,075 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14 2026-02-10T11:42:10,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19 2026-02-10T11:42:10,078 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19 2026-02-10T11:42:10,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4 2026-02-10T11:42:10,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:42:10,084 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 2026-02-10T11:42:10,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:42:10,087 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 2026-02-10T11:42:10,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:42:10,091 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 2026-02-10T11:42:10,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he 2026-02-10T11:42:10,094 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he 2026-02-10T11:42:10,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:42:10,097 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 2026-02-10T11:42:10,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3 2026-02-10T11:42:10,101 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3 2026-02-10T11:42:10,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:42:10,104 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 2026-02-10T11:42:10,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:42:10,107 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 2026-02-10T11:42:10,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:42:10,111 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 2026-02-10T11:42:10,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:42:10,114 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 2026-02-10T11:42:10,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:42:10,117 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 2026-02-10T11:42:10,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:42:10,121 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:42:10,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:42:10,124 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 2026-02-10T11:42:10,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h 2026-02-10T11:42:10,128 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h 2026-02-10T11:42:10,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o 2026-02-10T11:42:10,131 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o 2026-02-10T11:42:10,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:42:10,134 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:42:10,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:42:10,138 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 2026-02-10T11:42:10,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:42:10,141 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 2026-02-10T11:42:10,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:42:10,144 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 2026-02-10T11:42:10,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:42:10,148 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 2026-02-10T11:42:10,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:42:10,151 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 2026-02-10T11:42:10,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+ 2026-02-10T11:42:10,154 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+ 2026-02-10T11:42:10,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:42:10,158 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 2026-02-10T11:42:10,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC 2026-02-10T11:42:10,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9 2026-02-10T11:42:10,163 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9 2026-02-10T11:42:10,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3 2026-02-10T11:42:10,166 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3 2026-02-10T11:42:10,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4 2026-02-10T11:42:10,170 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4 2026-02-10T11:42:10,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6 2026-02-10T11:42:10,173 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6 2026-02-10T11:42:10,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X 2026-02-10T11:42:10,176 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X 2026-02-10T11:42:10,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10 2026-02-10T11:42:10,180 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10 2026-02-10T11:42:10,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein 2026-02-10T11:42:10,183 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein 2026-02-10T11:42:10,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X 2026-02-10T11:42:10,187 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X 2026-02-10T11:42:10,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X 2026-02-10T11:42:10,190 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X 2026-02-10T11:42:10,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7 2026-02-10T11:42:10,193 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7 2026-02-10T11:42:10,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene 2026-02-10T11:42:10,197 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene 2026-02-10T11:42:10,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1 2026-02-10T11:42:10,200 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1 2026-02-10T11:42:10,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2 2026-02-10T11:42:10,203 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2 2026-02-10T11:42:10,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X 2026-02-10T11:42:10,207 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X 2026-02-10T11:42:10,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH 2026-02-10T11:42:10,211 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH 2026-02-10T11:42:10,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5 2026-02-10T11:42:10,214 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5 2026-02-10T11:42:10,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene 2026-02-10T11:42:10,218 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene 2026-02-10T11:42:10,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine 2026-02-10T11:42:10,221 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine 2026-02-10T11:42:10,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8 2026-02-10T11:42:10,224 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8 2026-02-10T11:42:10,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane 2026-02-10T11:42:10,228 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane 2026-02-10T11:42:10,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene 2026-02-10T11:42:10,231 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene 2026-02-10T11:42:10,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene 2026-02-10T11:42:10,234 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene 2026-02-10T11:42:10,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24 2026-02-10T11:42:10,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e 2026-02-10T11:42:10,240 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e 2026-02-10T11:42:10,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e 2026-02-10T11:42:10,243 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e 2026-02-10T11:42:10,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e 2026-02-10T11:42:10,247 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e 2026-02-10T11:42:10,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p 2026-02-10T11:42:10,250 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p 2026-02-10T11:42:10,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e 2026-02-10T11:42:10,253 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e 2026-02-10T11:42:10,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p 2026-02-10T11:42:10,257 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p 2026-02-10T11:42:10,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e 2026-02-10T11:42:10,260 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e 2026-02-10T11:42:10,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e 2026-02-10T11:42:10,264 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e 2026-02-10T11:42:10,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p 2026-02-10T11:42:10,268 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p 2026-02-10T11:42:10,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e 2026-02-10T11:42:10,271 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e 2026-02-10T11:42:10,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e 2026-02-10T11:42:10,274 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e 2026-02-10T11:42:10,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e 2026-02-10T11:42:10,278 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e 2026-02-10T11:42:10,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p 2026-02-10T11:42:10,281 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p 2026-02-10T11:42:10,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p 2026-02-10T11:42:10,285 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p 2026-02-10T11:42:10,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p 2026-02-10T11:42:10,288 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p 2026-02-10T11:42:10,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p 2026-02-10T11:42:10,291 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p 2026-02-10T11:42:10,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p 2026-02-10T11:42:10,295 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p 2026-02-10T11:42:10,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p 2026-02-10T11:42:10,298 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p 2026-02-10T11:42:10,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p 2026-02-10T11:42:10,302 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p 2026-02-10T11:42:10,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p 2026-02-10T11:42:10,305 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p 2026-02-10T11:42:10,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e 2026-02-10T11:42:10,308 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e 2026-02-10T11:42:10,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e 2026-02-10T11:42:10,312 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e 2026-02-10T11:42:10,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e 2026-02-10T11:42:10,316 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e 2026-02-10T11:42:10,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e 2026-02-10T11:42:10,319 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e 2026-02-10T11:42:10,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p 2026-02-10T11:42:10,322 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p 2026-02-10T11:42:10,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e 2026-02-10T11:42:10,326 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e 2026-02-10T11:42:10,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p 2026-02-10T11:42:10,329 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p 2026-02-10T11:42:10,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p 2026-02-10T11:42:10,333 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p 2026-02-10T11:42:10,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e 2026-02-10T11:42:10,337 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e 2026-02-10T11:42:10,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p 2026-02-10T11:42:10,340 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p 2026-02-10T11:42:10,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e 2026-02-10T11:42:10,343 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e 2026-02-10T11:42:10,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e 2026-02-10T11:42:10,347 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e 2026-02-10T11:42:10,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e 2026-02-10T11:42:10,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e 2026-02-10T11:42:10,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p 2026-02-10T11:42:10,354 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p 2026-02-10T11:42:10,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e 2026-02-10T11:42:10,357 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e 2026-02-10T11:42:10,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p 2026-02-10T11:42:10,361 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p 2026-02-10T11:42:10,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p 2026-02-10T11:42:10,364 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p 2026-02-10T11:42:10,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p 2026-02-10T11:42:10,368 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p 2026-02-10T11:42:10,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p 2026-02-10T11:42:10,371 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p 2026-02-10T11:42:10,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e 2026-02-10T11:42:10,375 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e 2026-02-10T11:42:10,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p 2026-02-10T11:42:10,379 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p 2026-02-10T11:42:10,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p 2026-02-10T11:42:10,382 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p 2026-02-10T11:42:10,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e 2026-02-10T11:42:10,386 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e 2026-02-10T11:42:10,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e 2026-02-10T11:42:10,389 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e 2026-02-10T11:42:10,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p 2026-02-10T11:42:10,392 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p 2026-02-10T11:42:10,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e 2026-02-10T11:42:10,396 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e 2026-02-10T11:42:10,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e 2026-02-10T11:42:10,399 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e 2026-02-10T11:42:10,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p 2026-02-10T11:42:10,403 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p 2026-02-10T11:42:10,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26 2026-02-10T11:42:10,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh 2026-02-10T11:42:10,409 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh 2026-02-10T11:42:10,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4 2026-02-10T11:42:10,412 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4 2026-02-10T11:42:10,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A 2026-02-10T11:42:10,416 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A 2026-02-10T11:42:10,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p 2026-02-10T11:42:10,419 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p 2026-02-10T11:42:10,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p 2026-02-10T11:42:10,422 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p 2026-02-10T11:42:10,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s 2026-02-10T11:42:10,426 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s 2026-02-10T11:42:10,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3 2026-02-10T11:42:10,429 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3 2026-02-10T11:42:10,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp 2026-02-10T11:42:10,432 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp 2026-02-10T11:42:10,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G 2026-02-10T11:42:10,436 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G 2026-02-10T11:42:10,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol 2026-02-10T11:42:10,439 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol 2026-02-10T11:42:10,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp 2026-02-10T11:42:10,443 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp 2026-02-10T11:42:10,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6 2026-02-10T11:42:10,446 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6 2026-02-10T11:42:10,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2 2026-02-10T11:42:10,450 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2 2026-02-10T11:42:10,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp 2026-02-10T11:42:10,453 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp 2026-02-10T11:42:10,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4 2026-02-10T11:42:10,456 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4 2026-02-10T11:42:10,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp 2026-02-10T11:42:10,460 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp 2026-02-10T11:42:10,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p 2026-02-10T11:42:10,463 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p 2026-02-10T11:42:10,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp 2026-02-10T11:42:10,467 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp 2026-02-10T11:42:10,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly 2026-02-10T11:42:10,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly 2026-02-10T11:42:10,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp 2026-02-10T11:42:10,473 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp 2026-02-10T11:42:10,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp 2026-02-10T11:42:10,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp 2026-02-10T11:42:10,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol 2026-02-10T11:42:10,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol 2026-02-10T11:42:10,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p 2026-02-10T11:42:10,484 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p 2026-02-10T11:42:10,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p 2026-02-10T11:42:10,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p 2026-02-10T11:42:10,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap 2026-02-10T11:42:10,495 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap 2026-02-10T11:42:10,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp 2026-02-10T11:42:10,499 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp 2026-02-10T11:42:10,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp 2026-02-10T11:42:10,502 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp 2026-02-10T11:42:10,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3 2026-02-10T11:42:10,505 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3 2026-02-10T11:42:10,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o 2026-02-10T11:42:10,509 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o 2026-02-10T11:42:10,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6 2026-02-10T11:42:10,512 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6 2026-02-10T11:42:10,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:42:10,515 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:42:10,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p 2026-02-10T11:42:10,519 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p 2026-02-10T11:42:10,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p 2026-02-10T11:42:10,522 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p 2026-02-10T11:42:10,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p 2026-02-10T11:42:10,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p 2026-02-10T11:42:10,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8 2026-02-10T11:42:10,529 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8 2026-02-10T11:42:10,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys 2026-02-10T11:42:10,532 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys 2026-02-10T11:42:10,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s 2026-02-10T11:42:10,536 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s 2026-02-10T11:42:10,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p 2026-02-10T11:42:10,539 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p 2026-02-10T11:42:10,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C 2026-02-10T11:42:10,542 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C 2026-02-10T11:42:10,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:42:10,546 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:42:10,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass 2026-02-10T11:42:10,549 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass 2026-02-10T11:42:10,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2 2026-02-10T11:42:10,552 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2 2026-02-10T11:42:10,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T 2026-02-10T11:42:10,556 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T 2026-02-10T11:42:10,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp 2026-02-10T11:42:10,559 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp 2026-02-10T11:42:10,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op 2026-02-10T11:42:10,562 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op 2026-02-10T11:42:10,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp 2026-02-10T11:42:10,566 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp 2026-02-10T11:42:10,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6 2026-02-10T11:42:10,569 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6 2026-02-10T11:42:10,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p 2026-02-10T11:42:10,572 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p 2026-02-10T11:42:10,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p 2026-02-10T11:42:10,576 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p 2026-02-10T11:42:10,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl 2026-02-10T11:42:10,579 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl 2026-02-10T11:42:10,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp 2026-02-10T11:42:10,583 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp 2026-02-10T11:42:10,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2 2026-02-10T11:42:10,586 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2 2026-02-10T11:42:10,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13 2026-02-10T11:42:10,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2 2026-02-10T11:42:10,591 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2 2026-02-10T11:42:10,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2 2026-02-10T11:42:10,595 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2 2026-02-10T11:42:10,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4 2026-02-10T11:42:10,598 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4 2026-02-10T11:42:10,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2 2026-02-10T11:42:10,602 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2 2026-02-10T11:42:10,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2 2026-02-10T11:42:10,606 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2 2026-02-10T11:42:10,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6 2026-02-10T11:42:10,609 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6 2026-02-10T11:42:10,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1 2026-02-10T11:42:10,612 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1 2026-02-10T11:42:10,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene 2026-02-10T11:42:10,616 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene 2026-02-10T11:42:10,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:42:10,620 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 2026-02-10T11:42:10,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen 2026-02-10T11:42:10,623 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen 2026-02-10T11:42:10,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:42:10,627 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 2026-02-10T11:42:10,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:42:10,630 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 2026-02-10T11:42:10,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be 2026-02-10T11:42:10,634 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be 2026-02-10T11:42:10,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35 2026-02-10T11:42:10,637 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35 2026-02-10T11:42:10,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8 2026-02-10T11:42:10,641 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8 2026-02-10T11:42:10,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb 2026-02-10T11:42:10,644 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb 2026-02-10T11:42:10,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip 2026-02-10T11:42:10,647 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip 2026-02-10T11:42:10,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage 2026-02-10T11:42:10,651 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage 2026-02-10T11:42:10,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2 2026-02-10T11:42:10,654 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2 2026-02-10T11:42:10,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3 2026-02-10T11:42:10,657 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3 2026-02-10T11:42:10,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:42:10,661 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 2026-02-10T11:42:10,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl 2026-02-10T11:42:10,664 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl 2026-02-10T11:42:10,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne 2026-02-10T11:42:10,668 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne 2026-02-10T11:42:10,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35 2026-02-10T11:42:10,671 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35 2026-02-10T11:42:10,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6 2026-02-10T11:42:10,675 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6 2026-02-10T11:42:10,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36 2026-02-10T11:42:10,678 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36 2026-02-10T11:42:10,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4 2026-02-10T11:42:10,682 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4 2026-02-10T11:42:10,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36 2026-02-10T11:42:10,685 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36 2026-02-10T11:42:10,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen 2026-02-10T11:42:10,689 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen 2026-02-10T11:42:10,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL 2026-02-10T11:42:10,692 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL 2026-02-10T11:42:10,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21 2026-02-10T11:42:10,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:42:10,697 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:42:10,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:42:10,700 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:42:10,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99 2026-02-10T11:42:10,704 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99 2026-02-10T11:42:10,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215 2026-02-10T11:42:10,707 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215 2026-02-10T11:42:10,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:42:10,711 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:42:10,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357 2026-02-10T11:42:10,714 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357 2026-02-10T11:42:10,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470 2026-02-10T11:42:10,718 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470 2026-02-10T11:42:10,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:42:10,721 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:42:10,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b 2026-02-10T11:42:10,724 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b 2026-02-10T11:42:10,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224 2026-02-10T11:42:10,728 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224 2026-02-10T11:42:10,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:42:10,731 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:42:10,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114 2026-02-10T11:42:10,735 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114 2026-02-10T11:42:10,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691 2026-02-10T11:42:10,738 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691 2026-02-10T11:42:10,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300 2026-02-10T11:42:10,742 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300 2026-02-10T11:42:10,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:42:10,745 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:42:10,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366 2026-02-10T11:42:10,749 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366 2026-02-10T11:42:10,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:42:10,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:42:10,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:42:10,755 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:42:10,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444 2026-02-10T11:42:10,759 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444 2026-02-10T11:42:10,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412 2026-02-10T11:42:10,763 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412 2026-02-10T11:42:10,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:42:10,766 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:42:10,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59 2026-02-10T11:42:10,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:42:10,773 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:42:10,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:42:10,777 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:42:10,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:42:10,780 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 2026-02-10T11:42:10,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:42:10,783 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 2026-02-10T11:42:10,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:42:10,787 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:42:10,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:42:10,790 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:42:10,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:42:10,793 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 2026-02-10T11:42:10,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:42:10,797 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 2026-02-10T11:42:10,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI 2026-02-10T11:42:10,800 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI 2026-02-10T11:42:10,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:42:10,803 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 2026-02-10T11:42:10,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:42:10,806 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 2026-02-10T11:42:10,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe 2026-02-10T11:42:10,810 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe 2026-02-10T11:42:10,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:42:10,813 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 2026-02-10T11:42:10,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr 2026-02-10T11:42:10,816 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr 2026-02-10T11:42:10,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:42:10,820 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:42:10,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI 2026-02-10T11:42:10,823 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI 2026-02-10T11:42:10,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:42:10,827 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 2026-02-10T11:42:10,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:42:10,830 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 2026-02-10T11:42:10,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:42:10,834 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 2026-02-10T11:42:10,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:42:10,838 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:42:10,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:42:10,841 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 2026-02-10T11:42:10,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:42:10,844 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:42:10,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:42:10,847 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 2026-02-10T11:42:10,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:42:10,851 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:42:10,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:42:10,854 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:42:10,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:42:10,858 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:42:10,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:42:10,861 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:42:10,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:42:10,865 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:42:10,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:42:10,869 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 2026-02-10T11:42:10,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI 2026-02-10T11:42:10,872 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI 2026-02-10T11:42:10,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:42:10,876 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:42:10,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH 2026-02-10T11:42:10,880 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH 2026-02-10T11:42:10,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:42:10,883 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:42:10,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:42:10,886 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 2026-02-10T11:42:10,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:42:10,890 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 2026-02-10T11:42:10,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:42:10,893 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 2026-02-10T11:42:10,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:42:10,897 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:42:10,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:42:10,900 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:42:10,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2 2026-02-10T11:42:10,903 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2 2026-02-10T11:42:10,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:42:10,907 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:42:10,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:42:10,911 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:42:10,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:42:10,915 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:42:10,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3 2026-02-10T11:42:10,919 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3 2026-02-10T11:42:10,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:42:10,923 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:42:10,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:42:10,927 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:42:10,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:42:10,930 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:42:10,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:42:10,933 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:42:10,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH 2026-02-10T11:42:10,937 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH 2026-02-10T11:42:10,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:42:10,940 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 2026-02-10T11:42:10,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:42:10,943 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 2026-02-10T11:42:10,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:42:10,946 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 2026-02-10T11:42:10,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:42:10,950 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:42:10,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:42:10,953 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 2026-02-10T11:42:10,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:42:10,957 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 2026-02-10T11:42:10,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:42:10,961 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:42:10,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:42:10,964 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:42:10,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:42:10,968 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:42:10,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:42:10,971 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 2026-02-10T11:42:10,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:42:10,974 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:42:10,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:42:10,978 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:42:10,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:42:10,981 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 2026-02-10T11:42:10,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:42:10,985 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 2026-02-10T11:42:10,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:42:10,988 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:42:10,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH 2026-02-10T11:42:10,991 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH 2026-02-10T11:42:10,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl 2026-02-10T11:42:10,995 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl 2026-02-10T11:42:10,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:42:10,998 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:42:11,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:42:11,002 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 2026-02-10T11:42:11,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:42:11,005 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 2026-02-10T11:42:11,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS 2026-02-10T11:42:11,008 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS 2026-02-10T11:42:11,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:42:11,012 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 2026-02-10T11:42:11,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:42:11,015 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 2026-02-10T11:42:11,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:42:11,019 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:42:11,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:42:11,022 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 2026-02-10T11:42:11,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:42:11,026 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 2026-02-10T11:42:11,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:42:11,029 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 2026-02-10T11:42:11,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:42:11,032 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:42:11,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:42:11,036 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 2026-02-10T11:42:11,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:42:11,039 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:42:11,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:42:11,042 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:42:11,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:42:11,046 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 2026-02-10T11:42:11,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:42:11,049 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 2026-02-10T11:42:11,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:42:11,052 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 2026-02-10T11:42:11,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr 2026-02-10T11:42:11,056 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr 2026-02-10T11:42:11,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:42:11,059 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 2026-02-10T11:42:11,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:42:11,062 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 2026-02-10T11:42:11,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:42:11,066 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:42:11,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:42:11,069 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:42:11,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:42:11,072 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 2026-02-10T11:42:11,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:42:11,076 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 2026-02-10T11:42:11,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:42:11,079 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:42:11,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:42:11,082 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 2026-02-10T11:42:11,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI 2026-02-10T11:42:11,086 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI 2026-02-10T11:42:11,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:42:11,089 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 2026-02-10T11:42:11,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:42:11,093 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:42:11,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr 2026-02-10T11:42:11,096 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr 2026-02-10T11:42:11,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:42:11,100 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:42:11,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:42:11,103 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:42:11,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr 2026-02-10T11:42:11,107 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr 2026-02-10T11:42:11,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:42:11,110 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:42:11,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:42:11,113 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:42:11,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3 2026-02-10T11:42:11,117 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3 2026-02-10T11:42:11,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:42:11,120 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:42:11,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS 2026-02-10T11:42:11,123 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS 2026-02-10T11:42:11,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:42:11,126 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 2026-02-10T11:42:11,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:42:11,129 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:42:11,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP 2026-02-10T11:42:11,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64 2026-02-10T11:42:11,135 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64 2026-02-10T11:42:11,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+ 2026-02-10T11:42:11,139 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+ 2026-02-10T11:42:11,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74 2026-02-10T11:42:11,142 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74 2026-02-10T11:42:11,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12 2026-02-10T11:42:11,145 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12 2026-02-10T11:42:11,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+ 2026-02-10T11:42:11,149 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+ 2026-02-10T11:42:11,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18 2026-02-10T11:42:11,152 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18 2026-02-10T11:42:11,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59 2026-02-10T11:42:11,156 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59 2026-02-10T11:42:11,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+ 2026-02-10T11:42:11,159 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+ 2026-02-10T11:42:11,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34 2026-02-10T11:42:11,163 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34 2026-02-10T11:42:11,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13 2026-02-10T11:42:11,166 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13 2026-02-10T11:42:11,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77 2026-02-10T11:42:11,169 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77 2026-02-10T11:42:11,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b 2026-02-10T11:42:11,172 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b 2026-02-10T11:42:11,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76 2026-02-10T11:42:11,176 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76 2026-02-10T11:42:11,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+ 2026-02-10T11:42:11,179 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+ 2026-02-10T11:42:11,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48 2026-02-10T11:42:11,182 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48 2026-02-10T11:42:11,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137 2026-02-10T11:42:11,186 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137 2026-02-10T11:42:11,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45 2026-02-10T11:42:11,189 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45 2026-02-10T11:42:11,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+ 2026-02-10T11:42:11,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+ 2026-02-10T11:42:11,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+ 2026-02-10T11:42:11,196 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+ 2026-02-10T11:42:11,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+ 2026-02-10T11:42:11,199 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+ 2026-02-10T11:42:11,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o 2026-02-10T11:42:11,202 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o 2026-02-10T11:42:11,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be 2026-02-10T11:42:11,206 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be 2026-02-10T11:42:11,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73 2026-02-10T11:42:11,209 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73 2026-02-10T11:42:11,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20 2026-02-10T11:42:11,213 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20 2026-02-10T11:42:11,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+ 2026-02-10T11:42:11,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+ 2026-02-10T11:42:11,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+ 2026-02-10T11:42:11,219 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+ 2026-02-10T11:42:11,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na 2026-02-10T11:42:11,222 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na 2026-02-10T11:42:11,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+ 2026-02-10T11:42:11,226 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+ 2026-02-10T11:42:11,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80 2026-02-10T11:42:11,229 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80 2026-02-10T11:42:11,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75 2026-02-10T11:42:11,232 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75 2026-02-10T11:42:11,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70 2026-02-10T11:42:11,236 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70 2026-02-10T11:42:11,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66 2026-02-10T11:42:11,239 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66 2026-02-10T11:42:11,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si 2026-02-10T11:42:11,242 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si 2026-02-10T11:42:11,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n 2026-02-10T11:42:11,246 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n 2026-02-10T11:42:11,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h 2026-02-10T11:42:11,249 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h 2026-02-10T11:42:11,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65 2026-02-10T11:42:11,253 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65 2026-02-10T11:42:11,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li 2026-02-10T11:42:11,256 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li 2026-02-10T11:42:11,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44 2026-02-10T11:42:11,259 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44 2026-02-10T11:42:11,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25 2026-02-10T11:42:11,262 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25 2026-02-10T11:42:11,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30 2026-02-10T11:42:11,265 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30 2026-02-10T11:42:11,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s 2026-02-10T11:42:11,269 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s 2026-02-10T11:42:11,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68 2026-02-10T11:42:11,272 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68 2026-02-10T11:42:11,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg 2026-02-10T11:42:11,275 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg 2026-02-10T11:42:11,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67 2026-02-10T11:42:11,279 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67 2026-02-10T11:42:11,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78 2026-02-10T11:42:11,282 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78 2026-02-10T11:42:11,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43 2026-02-10T11:42:11,285 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43 2026-02-10T11:42:11,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37 2026-02-10T11:42:11,289 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37 2026-02-10T11:42:11,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22 2026-02-10T11:42:11,292 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22 2026-02-10T11:42:11,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p 2026-02-10T11:42:11,295 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p 2026-02-10T11:42:11,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26 2026-02-10T11:42:11,298 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26 2026-02-10T11:42:11,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+ 2026-02-10T11:42:11,302 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+ 2026-02-10T11:42:11,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72 2026-02-10T11:42:11,305 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72 2026-02-10T11:42:11,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f 2026-02-10T11:42:11,308 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f 2026-02-10T11:42:11,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+ 2026-02-10T11:42:11,312 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+ 2026-02-10T11:42:11,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60 2026-02-10T11:42:11,315 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60 2026-02-10T11:42:11,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl 2026-02-10T11:42:11,318 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl 2026-02-10T11:42:11,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65 2026-02-10T11:42:11,322 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65 2026-02-10T11:42:11,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51 2026-02-10T11:42:11,325 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51 2026-02-10T11:42:11,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71 2026-02-10T11:42:11,328 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71 2026-02-10T11:42:11,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11 2026-02-10T11:42:11,332 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11 2026-02-10T11:42:11,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61 2026-02-10T11:42:11,335 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61 2026-02-10T11:42:11,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+ 2026-02-10T11:42:11,338 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+ 2026-02-10T11:42:11,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c 2026-02-10T11:42:11,341 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c 2026-02-10T11:42:11,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+ 2026-02-10T11:42:11,345 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+ 2026-02-10T11:42:11,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14 2026-02-10T11:42:11,348 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14 2026-02-10T11:42:11,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al 2026-02-10T11:42:11,351 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al 2026-02-10T11:42:11,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19 2026-02-10T11:42:11,354 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19 2026-02-10T11:42:11,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62 2026-02-10T11:42:11,359 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62 2026-02-10T11:42:11,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8 2026-02-10T11:42:11,362 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8 2026-02-10T11:42:11,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79 2026-02-10T11:42:11,365 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79 2026-02-10T11:42:11,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63 2026-02-10T11:42:11,369 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63 2026-02-10T11:42:11,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34 2026-02-10T11:42:11,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25 2026-02-10T11:42:11,375 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25 2026-02-10T11:42:11,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24 2026-02-10T11:42:11,378 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24 2026-02-10T11:42:11,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23 2026-02-10T11:42:11,381 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23 2026-02-10T11:42:11,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19 2026-02-10T11:42:11,385 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19 2026-02-10T11:42:11,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21 2026-02-10T11:42:11,389 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21 2026-02-10T11:42:11,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26 2026-02-10T11:42:11,392 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26 2026-02-10T11:42:11,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9 2026-02-10T11:42:11,396 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9 2026-02-10T11:42:11,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3 2026-02-10T11:42:11,399 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3 2026-02-10T11:42:11,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4 2026-02-10T11:42:11,403 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4 2026-02-10T11:42:11,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20 2026-02-10T11:42:11,406 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20 2026-02-10T11:42:11,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27 2026-02-10T11:42:11,410 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27 2026-02-10T11:42:11,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6 2026-02-10T11:42:11,414 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6 2026-02-10T11:42:11,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26 2026-02-10T11:42:11,417 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26 2026-02-10T11:42:11,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30 2026-02-10T11:42:11,420 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30 2026-02-10T11:42:11,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10 2026-02-10T11:42:11,423 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10 2026-02-10T11:42:11,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20 2026-02-10T11:42:11,427 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20 2026-02-10T11:42:11,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11 2026-02-10T11:42:11,431 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11 2026-02-10T11:42:11,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7 2026-02-10T11:42:11,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7 2026-02-10T11:42:11,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34 2026-02-10T11:42:11,438 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34 2026-02-10T11:42:11,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7 2026-02-10T11:42:11,442 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7 2026-02-10T11:42:11,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32 2026-02-10T11:42:11,445 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32 2026-02-10T11:42:11,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30 2026-02-10T11:42:11,449 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30 2026-02-10T11:42:11,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1 2026-02-10T11:42:11,453 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1 2026-02-10T11:42:11,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12 2026-02-10T11:42:11,457 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12 2026-02-10T11:42:11,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4 2026-02-10T11:42:11,460 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4 2026-02-10T11:42:11,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15 2026-02-10T11:42:11,464 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15 2026-02-10T11:42:11,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15 2026-02-10T11:42:11,468 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15 2026-02-10T11:42:11,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2 2026-02-10T11:42:11,475 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2 2026-02-10T11:42:11,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22 2026-02-10T11:42:11,478 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22 2026-02-10T11:42:11,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23 2026-02-10T11:42:11,482 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23 2026-02-10T11:42:11,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24 2026-02-10T11:42:11,486 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24 2026-02-10T11:42:11,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16 2026-02-10T11:42:11,489 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16 2026-02-10T11:42:11,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34 2026-02-10T11:42:11,493 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34 2026-02-10T11:42:11,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10 2026-02-10T11:42:11,496 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10 2026-02-10T11:42:11,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17 2026-02-10T11:42:11,500 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17 2026-02-10T11:42:11,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17 2026-02-10T11:42:11,503 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17 2026-02-10T11:42:11,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3 2026-02-10T11:42:11,508 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3 2026-02-10T11:42:11,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21 2026-02-10T11:42:11,511 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21 2026-02-10T11:42:11,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27 2026-02-10T11:42:11,515 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27 2026-02-10T11:42:11,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13 2026-02-10T11:42:11,518 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13 2026-02-10T11:42:11,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5 2026-02-10T11:42:11,522 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5 2026-02-10T11:42:11,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31 2026-02-10T11:42:11,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31 2026-02-10T11:42:11,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8 2026-02-10T11:42:11,529 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8 2026-02-10T11:42:11,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29 2026-02-10T11:42:11,532 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29 2026-02-10T11:42:11,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1 2026-02-10T11:42:11,536 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1 2026-02-10T11:42:11,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14 2026-02-10T11:42:11,539 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14 2026-02-10T11:42:11,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33 2026-02-10T11:42:11,543 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33 2026-02-10T11:42:11,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31 2026-02-10T11:42:11,547 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31 2026-02-10T11:42:11,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33 2026-02-10T11:42:11,550 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33 2026-02-10T11:42:11,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16 2026-02-10T11:42:11,554 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16 2026-02-10T11:42:11,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9 2026-02-10T11:42:11,558 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9 2026-02-10T11:42:11,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11 2026-02-10T11:42:11,561 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11 2026-02-10T11:42:11,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14 2026-02-10T11:42:11,565 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14 2026-02-10T11:42:11,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12 2026-02-10T11:42:11,568 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12 2026-02-10T11:42:11,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8 2026-02-10T11:42:11,572 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8 2026-02-10T11:42:11,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29 2026-02-10T11:42:11,575 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29 2026-02-10T11:42:11,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25 2026-02-10T11:42:11,578 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25 2026-02-10T11:42:11,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13 2026-02-10T11:42:11,581 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13 2026-02-10T11:42:11,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28 2026-02-10T11:42:11,585 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28 2026-02-10T11:42:11,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18 2026-02-10T11:42:11,588 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18 2026-02-10T11:42:11,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18 2026-02-10T11:42:11,592 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18 2026-02-10T11:42:11,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32 2026-02-10T11:42:11,595 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32 2026-02-10T11:42:11,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28 2026-02-10T11:42:11,598 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28 2026-02-10T11:42:11,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6 2026-02-10T11:42:11,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2 2026-02-10T11:42:11,604 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2 2026-02-10T11:42:11,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3 2026-02-10T11:42:11,607 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3 2026-02-10T11:42:11,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4 2026-02-10T11:42:11,611 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4 2026-02-10T11:42:11,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2 2026-02-10T11:42:11,615 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2 2026-02-10T11:42:11,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6 2026-02-10T11:42:11,618 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6 2026-02-10T11:42:11,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7 2026-02-10T11:42:11,622 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7 2026-02-10T11:42:11,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5 2026-02-10T11:42:11,625 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5 2026-02-10T11:42:11,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6 2026-02-10T11:42:11,629 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6 2026-02-10T11:42:11,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5 2026-02-10T11:42:11,632 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5 2026-02-10T11:42:11,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3 2026-02-10T11:42:11,636 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3 2026-02-10T11:42:11,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4 2026-02-10T11:42:11,639 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4 2026-02-10T11:42:11,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7 2026-02-10T11:42:11,643 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7 2026-02-10T11:42:11,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4 2026-02-10T11:42:11,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:42:11,651 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:42:11,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:42:11,655 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:42:11,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:42:11,659 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:42:11,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:42:11,662 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:42:11,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:42:11,665 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:42:11,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:42:11,669 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:42:11,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:42:11,673 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:42:11,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:42:11,676 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:42:11,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:42:11,680 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:42:11,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:42:11,683 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:42:11,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:42:11,687 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:42:11,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:42:11,690 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:42:11,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:42:11,694 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:42:11,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:42:11,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:42:11,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:42:11,702 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:42:11,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:42:11,706 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:42:11,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:42:11,711 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:42:11,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:42:11,715 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:42:11,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:42:11,718 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:42:11,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:42:11,722 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:42:11,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:42:11,726 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:42:11,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:42:11,730 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:42:11,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:42:11,734 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:42:11,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:42:11,737 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:42:11,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:42:11,741 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:42:11,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:42:11,745 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:42:11,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:42:11,748 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:42:11,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:42:11,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:42:11,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:42:11,756 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:42:11,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:42:11,759 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:42:11,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:42:11,762 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:42:11,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:42:11,766 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:42:11,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:42:11,770 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:42:11,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:42:11,773 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:42:11,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:42:11,777 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:42:11,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:42:11,780 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:42:11,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:42:11,784 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:42:11,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:42:11,787 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:42:11,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:42:11,790 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:42:11,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:42:11,794 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:42:11,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:42:11,797 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:42:11,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:42:11,801 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:42:11,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:42:11,804 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:42:11,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:42:11,808 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:42:11,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:42:11,812 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:42:11,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:42:11,815 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:42:11,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:42:11,819 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:42:11,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:42:11,823 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:42:11,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:42:11,826 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:42:11,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:42:11,830 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:42:11,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:42:11,833 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:42:11,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:42:11,837 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:42:11,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:42:11,841 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:42:11,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:42:11,844 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:42:11,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:42:11,848 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:42:11,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:42:11,851 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:42:11,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:42:11,855 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:42:11,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:42:11,859 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:42:11,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:42:11,862 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:42:11,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:42:11,866 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:42:11,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:42:11,869 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:42:11,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:42:11,873 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:42:11,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:42:11,876 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:42:11,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:42:11,880 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:42:11,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:42:11,883 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:42:11,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:42:11,887 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:42:11,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:42:11,890 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:42:11,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:42:11,894 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:42:11,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:42:11,897 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:42:11,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:42:11,901 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:42:11,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:42:11,904 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:42:11,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:42:11,908 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:42:11,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:42:11,912 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:42:11,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:42:11,915 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:42:11,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:42:11,919 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:42:11,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:42:11,922 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:42:11,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:42:11,927 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:42:11,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:42:11,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:42:11,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:42:11,934 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:42:11,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:42:11,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:42:11,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:42:11,941 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:42:11,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:42:11,945 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:42:11,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:42:11,949 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:42:11,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:42:11,952 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:42:11,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:42:11,956 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:42:11,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:42:11,959 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:42:11,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:42:11,963 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:42:11,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:42:11,967 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:42:11,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:42:11,971 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:42:11,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:42:11,974 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:42:11,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:42:11,979 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:42:11,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:42:11,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:42:11,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:42:11,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:42:11,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:42:11,990 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:42:11,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:42:11,993 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:42:11,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:42:11,998 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:42:12,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:42:12,002 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:42:12,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:42:12,007 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:42:12,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:42:12,012 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:42:12,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:42:12,015 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:42:12,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6 2026-02-10T11:42:12,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3 2026-02-10T11:42:12,021 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3 2026-02-10T11:42:12,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4 2026-02-10T11:42:12,025 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4 2026-02-10T11:42:12,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:42:12,029 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:42:12,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6 2026-02-10T11:42:12,032 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6 2026-02-10T11:42:12,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3 2026-02-10T11:42:12,036 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3 2026-02-10T11:42:12,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6 2026-02-10T11:42:12,039 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6 2026-02-10T11:42:12,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3 2026-02-10T11:42:12,043 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3 2026-02-10T11:42:12,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5 2026-02-10T11:42:12,047 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5 2026-02-10T11:42:12,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6 2026-02-10T11:42:12,050 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6 2026-02-10T11:42:12,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2 2026-02-10T11:42:12,054 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2 2026-02-10T11:42:12,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3 2026-02-10T11:42:12,057 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3 2026-02-10T11:42:12,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16 2026-02-10T11:42:12,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,063 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,065 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,067 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,069 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,071 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,073 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,075 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,077 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,079 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,080 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,082 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,084 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,085 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,087 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,089 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,090 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,092 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,094 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,096 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,098 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,099 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,101 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,103 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,105 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,107 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,108 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,111 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,113 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DC13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,116 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RC21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,118 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,120 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,122 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,124 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,126 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,127 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,129 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,131 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:12,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES 2026-02-10T11:42:12,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18 2026-02-10T11:42:12,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2 2026-02-10T11:42:12,141 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 2026-02-10T11:42:12,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr 2026-02-10T11:42:12,145 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 2026-02-10T11:42:12,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr 2026-02-10T11:42:12,148 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 2026-02-10T11:42:12,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2 2026-02-10T11:42:12,153 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 2026-02-10T11:42:12,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe 2026-02-10T11:42:12,156 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 2026-02-10T11:42:12,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3 2026-02-10T11:42:12,160 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 2026-02-10T11:42:12,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2 2026-02-10T11:42:12,163 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 2026-02-10T11:42:12,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:42:12,167 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 2026-02-10T11:42:12,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6 2026-02-10T11:42:12,170 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 2026-02-10T11:42:12,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe 2026-02-10T11:42:12,174 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 2026-02-10T11:42:12,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3 2026-02-10T11:42:12,177 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 2026-02-10T11:42:12,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf 2026-02-10T11:42:12,181 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 2026-02-10T11:42:12,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6 2026-02-10T11:42:12,184 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 2026-02-10T11:42:12,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr 2026-02-10T11:42:12,187 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 2026-02-10T11:42:12,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr 2026-02-10T11:42:12,191 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 2026-02-10T11:42:12,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne 2026-02-10T11:42:12,194 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 2026-02-10T11:42:12,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:42:12,198 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 2026-02-10T11:42:12,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3 2026-02-10T11:42:12,201 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 2026-02-10T11:42:12,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz 2026-02-10T11:42:12,204 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 2026-02-10T11:42:12,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4 2026-02-10T11:42:12,208 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 2026-02-10T11:42:12,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar 2026-02-10T11:42:12,211 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 2026-02-10T11:42:12,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:42:12,214 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 2026-02-10T11:42:12,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2 2026-02-10T11:42:12,217 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 2026-02-10T11:42:12,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4 2026-02-10T11:42:12,220 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 2026-02-10T11:42:12,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:42:12,224 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 2026-02-10T11:42:12,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18 2026-02-10T11:42:12,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1 2026-02-10T11:42:12,229 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 2026-02-10T11:42:12,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:42:12,232 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 2026-02-10T11:42:12,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2 2026-02-10T11:42:12,236 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 2026-02-10T11:42:12,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:42:12,240 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 2026-02-10T11:42:12,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:42:12,243 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 2026-02-10T11:42:12,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8 2026-02-10T11:42:12,246 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 2026-02-10T11:42:12,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9 2026-02-10T11:42:12,250 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 2026-02-10T11:42:12,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1 2026-02-10T11:42:12,253 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 2026-02-10T11:42:12,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2 2026-02-10T11:42:12,256 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 2026-02-10T11:42:12,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:42:12,260 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 2026-02-10T11:42:12,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7 2026-02-10T11:42:12,263 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 2026-02-10T11:42:12,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5 2026-02-10T11:42:12,267 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 2026-02-10T11:42:12,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:42:12,270 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 2026-02-10T11:42:12,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5 2026-02-10T11:42:12,274 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 2026-02-10T11:42:12,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4 2026-02-10T11:42:12,277 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 2026-02-10T11:42:12,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o 2026-02-10T11:42:12,281 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 2026-02-10T11:42:12,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:42:12,284 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 2026-02-10T11:42:12,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9 2026-02-10T11:42:12,287 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 2026-02-10T11:42:12,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3 2026-02-10T11:42:12,291 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 2026-02-10T11:42:12,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3 2026-02-10T11:42:12,294 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 2026-02-10T11:42:12,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:42:12,297 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 2026-02-10T11:42:12,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4 2026-02-10T11:42:12,301 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 2026-02-10T11:42:12,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:42:12,304 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 2026-02-10T11:42:12,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8 2026-02-10T11:42:12,307 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 2026-02-10T11:42:12,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6 2026-02-10T11:42:12,311 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 2026-02-10T11:42:12,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7 2026-02-10T11:42:12,314 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 2026-02-10T11:42:12,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6 2026-02-10T11:42:12,318 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 2026-02-10T11:42:12,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:42:12,321 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 2026-02-10T11:42:12,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21 2026-02-10T11:42:12,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1 2026-02-10T11:42:12,327 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 2026-02-10T11:42:12,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A 2026-02-10T11:42:12,330 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 2026-02-10T11:42:12,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B 2026-02-10T11:42:12,334 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 2026-02-10T11:42:12,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A 2026-02-10T11:42:12,337 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 2026-02-10T11:42:12,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B 2026-02-10T11:42:12,340 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 2026-02-10T11:42:12,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B 2026-02-10T11:42:12,344 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 2026-02-10T11:42:12,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4 2026-02-10T11:42:12,347 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 2026-02-10T11:42:12,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A 2026-02-10T11:42:12,350 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 2026-02-10T11:42:12,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A 2026-02-10T11:42:12,354 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 2026-02-10T11:42:12,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12 2026-02-10T11:42:12,357 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 2026-02-10T11:42:12,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A 2026-02-10T11:42:12,361 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 2026-02-10T11:42:12,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18 2026-02-10T11:42:12,364 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 2026-02-10T11:42:12,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A 2026-02-10T11:42:12,368 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 2026-02-10T11:42:12,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13 2026-02-10T11:42:12,371 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 2026-02-10T11:42:12,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A 2026-02-10T11:42:12,375 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 2026-02-10T11:42:12,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B 2026-02-10T11:42:12,378 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 2026-02-10T11:42:12,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A 2026-02-10T11:42:12,381 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 2026-02-10T11:42:12,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A 2026-02-10T11:42:12,384 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 2026-02-10T11:42:12,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B 2026-02-10T11:42:12,388 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 2026-02-10T11:42:12,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A 2026-02-10T11:42:12,391 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 2026-02-10T11:42:12,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A 2026-02-10T11:42:12,394 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 2026-02-10T11:42:12,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20 2026-02-10T11:42:12,398 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 2026-02-10T11:42:12,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3 2026-02-10T11:42:12,401 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 2026-02-10T11:42:12,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A 2026-02-10T11:42:12,404 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 2026-02-10T11:42:12,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B 2026-02-10T11:42:12,408 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 2026-02-10T11:42:12,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A 2026-02-10T11:42:12,411 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 2026-02-10T11:42:12,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B 2026-02-10T11:42:12,414 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 2026-02-10T11:42:12,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A 2026-02-10T11:42:12,417 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 2026-02-10T11:42:12,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B 2026-02-10T11:42:12,420 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 2026-02-10T11:42:12,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16 2026-02-10T11:42:12,424 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 2026-02-10T11:42:12,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B 2026-02-10T11:42:12,427 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 2026-02-10T11:42:12,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B 2026-02-10T11:42:12,430 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 2026-02-10T11:42:12,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A 2026-02-10T11:42:12,434 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 2026-02-10T11:42:12,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B 2026-02-10T11:42:12,437 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 2026-02-10T11:42:12,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A 2026-02-10T11:42:12,440 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 2026-02-10T11:42:12,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B 2026-02-10T11:42:12,444 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 2026-02-10T11:42:12,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B 2026-02-10T11:42:12,447 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 2026-02-10T11:42:12,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9 2026-02-10T11:42:12,451 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 2026-02-10T11:42:12,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A 2026-02-10T11:42:12,454 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 2026-02-10T11:42:12,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A 2026-02-10T11:42:12,457 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 2026-02-10T11:42:12,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A 2026-02-10T11:42:12,461 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 2026-02-10T11:42:12,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7 2026-02-10T11:42:12,464 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 2026-02-10T11:42:12,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10 2026-02-10T11:42:12,467 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 2026-02-10T11:42:12,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B 2026-02-10T11:42:12,471 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 2026-02-10T11:42:12,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6 2026-02-10T11:42:12,474 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 2026-02-10T11:42:12,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B 2026-02-10T11:42:12,478 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 2026-02-10T11:42:12,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A 2026-02-10T11:42:12,481 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 2026-02-10T11:42:12,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A 2026-02-10T11:42:12,485 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 2026-02-10T11:42:12,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B 2026-02-10T11:42:12,488 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 2026-02-10T11:42:12,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B 2026-02-10T11:42:12,491 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 2026-02-10T11:42:12,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B 2026-02-10T11:42:12,495 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 2026-02-10T11:42:12,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11 2026-02-10T11:42:12,498 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 2026-02-10T11:42:12,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B 2026-02-10T11:42:12,501 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 2026-02-10T11:42:12,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5 2026-02-10T11:42:12,504 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 2026-02-10T11:42:12,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15 2026-02-10T11:42:12,508 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 2026-02-10T11:42:12,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B 2026-02-10T11:42:12,514 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 2026-02-10T11:42:12,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17 2026-02-10T11:42:12,519 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 2026-02-10T11:42:12,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21 2026-02-10T11:42:12,522 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 2026-02-10T11:42:12,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B 2026-02-10T11:42:12,526 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 2026-02-10T11:42:12,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2 2026-02-10T11:42:12,529 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 2026-02-10T11:42:12,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14 2026-02-10T11:42:12,533 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 2026-02-10T11:42:12,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19 2026-02-10T11:42:12,537 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 2026-02-10T11:42:12,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8 2026-02-10T11:42:12,545 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 2026-02-10T11:42:12,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI 2026-02-10T11:42:12,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts 2026-02-10T11:42:12,552 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 2026-02-10T11:42:12,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1 2026-02-10T11:42:12,557 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 2026-02-10T11:42:12,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6 2026-02-10T11:42:12,561 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 2026-02-10T11:42:12,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:42:12,564 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 2026-02-10T11:42:12,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts 2026-02-10T11:42:12,567 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 2026-02-10T11:42:12,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6 2026-02-10T11:42:12,571 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 2026-02-10T11:42:12,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r 2026-02-10T11:42:12,575 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 2026-02-10T11:42:12,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:42:12,578 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 2026-02-10T11:42:12,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:42:12,581 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 2026-02-10T11:42:12,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:42:12,585 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 2026-02-10T11:42:12,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:42:12,589 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 2026-02-10T11:42:12,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7 2026-02-10T11:42:12,592 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 2026-02-10T11:42:12,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:42:12,596 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 2026-02-10T11:42:12,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r 2026-02-10T11:42:12,599 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 2026-02-10T11:42:12,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5 2026-02-10T11:42:12,602 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 2026-02-10T11:42:12,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r 2026-02-10T11:42:12,605 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 2026-02-10T11:42:12,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3 2026-02-10T11:42:12,609 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 2026-02-10T11:42:12,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:42:12,612 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 2026-02-10T11:42:12,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:42:12,616 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 2026-02-10T11:42:12,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:42:12,619 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 2026-02-10T11:42:12,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts 2026-02-10T11:42:12,623 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 2026-02-10T11:42:12,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:42:12,626 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 2026-02-10T11:42:12,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts 2026-02-10T11:42:12,630 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 2026-02-10T11:42:12,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5 2026-02-10T11:42:12,634 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 2026-02-10T11:42:12,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2 2026-02-10T11:42:12,637 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 2026-02-10T11:42:12,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:42:12,640 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 2026-02-10T11:42:12,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3 2026-02-10T11:42:12,644 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 2026-02-10T11:42:12,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11 2026-02-10T11:42:12,647 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 2026-02-10T11:42:12,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:42:12,651 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 2026-02-10T11:42:12,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts 2026-02-10T11:42:12,654 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 2026-02-10T11:42:12,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts 2026-02-10T11:42:12,658 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 2026-02-10T11:42:12,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:42:12,661 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 2026-02-10T11:42:12,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:42:12,664 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 2026-02-10T11:42:12,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:42:12,668 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 2026-02-10T11:42:12,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts 2026-02-10T11:42:12,671 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 2026-02-10T11:42:12,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r 2026-02-10T11:42:12,675 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 2026-02-10T11:42:12,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:42:12,679 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 2026-02-10T11:42:12,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r 2026-02-10T11:42:12,682 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 2026-02-10T11:42:12,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:42:12,686 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 2026-02-10T11:42:12,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts 2026-02-10T11:42:12,689 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 2026-02-10T11:42:12,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4 2026-02-10T11:42:12,692 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 2026-02-10T11:42:12,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8 2026-02-10T11:42:12,696 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 2026-02-10T11:42:12,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:42:12,699 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 2026-02-10T11:42:12,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:42:12,702 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 2026-02-10T11:42:12,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4 2026-02-10T11:42:12,706 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 2026-02-10T11:42:12,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9 2026-02-10T11:42:12,709 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 2026-02-10T11:42:12,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r 2026-02-10T11:42:12,713 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 2026-02-10T11:42:12,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:42:12,717 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 2026-02-10T11:42:12,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts 2026-02-10T11:42:12,720 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 2026-02-10T11:42:12,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7 2026-02-10T11:42:12,723 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 2026-02-10T11:42:12,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:42:12,727 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 2026-02-10T11:42:12,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8 2026-02-10T11:42:12,730 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 2026-02-10T11:42:12,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:42:12,734 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 2026-02-10T11:42:12,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10 2026-02-10T11:42:12,737 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 2026-02-10T11:42:12,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:42:12,741 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 2026-02-10T11:42:12,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r 2026-02-10T11:42:12,744 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 2026-02-10T11:42:12,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r 2026-02-10T11:42:12,747 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 2026-02-10T11:42:12,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9 2026-02-10T11:42:12,751 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 2026-02-10T11:42:12,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:42:12,754 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 2026-02-10T11:42:12,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1 2026-02-10T11:42:12,758 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 2026-02-10T11:42:12,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2 2026-02-10T11:42:12,761 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 2026-02-10T11:42:12,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF 2026-02-10T11:42:12,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13 2026-02-10T11:42:12,766 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 2026-02-10T11:42:12,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15 2026-02-10T11:42:12,769 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 2026-02-10T11:42:12,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8 2026-02-10T11:42:12,773 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 2026-02-10T11:42:12,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2 2026-02-10T11:42:12,776 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 2026-02-10T11:42:12,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1 2026-02-10T11:42:12,779 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 2026-02-10T11:42:12,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11 2026-02-10T11:42:12,783 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 2026-02-10T11:42:12,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4 2026-02-10T11:42:12,787 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 2026-02-10T11:42:12,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7 2026-02-10T11:42:12,790 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 2026-02-10T11:42:12,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3 2026-02-10T11:42:12,794 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 2026-02-10T11:42:12,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12 2026-02-10T11:42:12,798 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 2026-02-10T11:42:12,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4 2026-02-10T11:42:12,802 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 2026-02-10T11:42:12,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5 2026-02-10T11:42:12,805 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 2026-02-10T11:42:12,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6 2026-02-10T11:42:12,808 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 2026-02-10T11:42:12,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1 2026-02-10T11:42:12,811 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 2026-02-10T11:42:12,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10 2026-02-10T11:42:12,815 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 2026-02-10T11:42:12,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3 2026-02-10T11:42:12,818 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 2026-02-10T11:42:12,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14 2026-02-10T11:42:12,821 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 2026-02-10T11:42:12,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2 2026-02-10T11:42:12,825 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 2026-02-10T11:42:12,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9 2026-02-10T11:42:12,829 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 2026-02-10T11:42:12,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF 2026-02-10T11:42:12,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1 2026-02-10T11:42:12,836 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 2026-02-10T11:42:12,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36 2026-02-10T11:42:12,840 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 2026-02-10T11:42:12,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4 2026-02-10T11:42:12,845 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 2026-02-10T11:42:12,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12 2026-02-10T11:42:12,850 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 2026-02-10T11:42:12,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27 2026-02-10T11:42:12,854 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 2026-02-10T11:42:12,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18 2026-02-10T11:42:12,858 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 2026-02-10T11:42:12,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34 2026-02-10T11:42:12,861 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 2026-02-10T11:42:12,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13 2026-02-10T11:42:12,866 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 2026-02-10T11:42:12,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48 2026-02-10T11:42:12,870 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 2026-02-10T11:42:12,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45 2026-02-10T11:42:12,874 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 2026-02-10T11:42:12,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46 2026-02-10T11:42:12,878 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 2026-02-10T11:42:12,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38 2026-02-10T11:42:12,882 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 2026-02-10T11:42:12,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49 2026-02-10T11:42:12,886 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 2026-02-10T11:42:12,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20 2026-02-10T11:42:12,891 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 2026-02-10T11:42:12,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3 2026-02-10T11:42:12,895 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 2026-02-10T11:42:12,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41 2026-02-10T11:42:12,899 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 2026-02-10T11:42:12,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16 2026-02-10T11:42:12,903 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 2026-02-10T11:42:12,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44 2026-02-10T11:42:12,908 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 2026-02-10T11:42:12,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25 2026-02-10T11:42:12,912 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 2026-02-10T11:42:12,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30 2026-02-10T11:42:12,916 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 2026-02-10T11:42:12,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9 2026-02-10T11:42:12,920 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 2026-02-10T11:42:12,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43 2026-02-10T11:42:12,924 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 2026-02-10T11:42:12,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37 2026-02-10T11:42:12,928 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 2026-02-10T11:42:12,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22 2026-02-10T11:42:12,932 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 2026-02-10T11:42:12,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7 2026-02-10T11:42:12,936 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 2026-02-10T11:42:12,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23 2026-02-10T11:42:12,941 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 2026-02-10T11:42:12,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10 2026-02-10T11:42:12,945 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 2026-02-10T11:42:12,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47 2026-02-10T11:42:12,949 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 2026-02-10T11:42:12,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28 2026-02-10T11:42:12,953 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 2026-02-10T11:42:12,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26 2026-02-10T11:42:12,957 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 2026-02-10T11:42:12,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6 2026-02-10T11:42:12,961 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 2026-02-10T11:42:12,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40 2026-02-10T11:42:12,965 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 2026-02-10T11:42:12,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50 2026-02-10T11:42:12,970 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 2026-02-10T11:42:12,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51 2026-02-10T11:42:12,974 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 2026-02-10T11:42:12,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11 2026-02-10T11:42:12,978 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 2026-02-10T11:42:12,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32 2026-02-10T11:42:12,982 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 2026-02-10T11:42:12,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5 2026-02-10T11:42:12,986 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 2026-02-10T11:42:12,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24 2026-02-10T11:42:12,990 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 2026-02-10T11:42:12,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15 2026-02-10T11:42:12,994 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 2026-02-10T11:42:12,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17 2026-02-10T11:42:12,999 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 2026-02-10T11:42:13,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21 2026-02-10T11:42:13,003 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 2026-02-10T11:42:13,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52 2026-02-10T11:42:13,007 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 2026-02-10T11:42:13,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42 2026-02-10T11:42:13,012 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 2026-02-10T11:42:13,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2 2026-02-10T11:42:13,016 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 2026-02-10T11:42:13,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39 2026-02-10T11:42:13,020 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 2026-02-10T11:42:13,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35 2026-02-10T11:42:13,024 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 2026-02-10T11:42:13,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14 2026-02-10T11:42:13,029 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 2026-02-10T11:42:13,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19 2026-02-10T11:42:13,033 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 2026-02-10T11:42:13,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33 2026-02-10T11:42:13,037 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 2026-02-10T11:42:13,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29 2026-02-10T11:42:13,042 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 2026-02-10T11:42:13,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8 2026-02-10T11:42:13,046 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 2026-02-10T11:42:13,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31 2026-02-10T11:42:13,050 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 2026-02-10T11:42:13,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6 2026-02-10T11:42:13,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A 2026-02-10T11:42:13,057 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 2026-02-10T11:42:13,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A 2026-02-10T11:42:13,061 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 2026-02-10T11:42:13,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27 2026-02-10T11:42:13,065 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 2026-02-10T11:42:13,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B 2026-02-10T11:42:13,069 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 2026-02-10T11:42:13,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A 2026-02-10T11:42:13,073 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 2026-02-10T11:42:13,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B 2026-02-10T11:42:13,077 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 2026-02-10T11:42:13,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A 2026-02-10T11:42:13,081 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 2026-02-10T11:42:13,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25 2026-02-10T11:42:13,085 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 2026-02-10T11:42:13,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22 2026-02-10T11:42:13,089 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 2026-02-10T11:42:13,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23 2026-02-10T11:42:13,093 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 2026-02-10T11:42:13,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A 2026-02-10T11:42:13,097 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 2026-02-10T11:42:13,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A 2026-02-10T11:42:13,101 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 2026-02-10T11:42:13,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B 2026-02-10T11:42:13,105 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 2026-02-10T11:42:13,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26 2026-02-10T11:42:13,109 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 2026-02-10T11:42:13,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B 2026-02-10T11:42:13,113 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 2026-02-10T11:42:13,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24 2026-02-10T11:42:13,117 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 2026-02-10T11:42:13,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B 2026-02-10T11:42:13,121 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 2026-02-10T11:42:13,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B 2026-02-10T11:42:13,125 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 2026-02-10T11:42:13,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8 2026-02-10T11:42:13,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me 2026-02-10T11:42:13,132 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 2026-02-10T11:42:13,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+ 2026-02-10T11:42:13,137 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+ 2026-02-10T11:42:13,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8 2026-02-10T11:42:13,142 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 2026-02-10T11:42:13,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+ 2026-02-10T11:42:13,147 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+ 2026-02-10T11:42:13,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch 2026-02-10T11:42:13,151 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 2026-02-10T11:42:13,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:42:13,155 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 2026-02-10T11:42:13,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c 2026-02-10T11:42:13,159 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 2026-02-10T11:42:13,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:42:13,163 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 2026-02-10T11:42:13,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:42:13,168 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 2026-02-10T11:42:13,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me 2026-02-10T11:42:13,172 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 2026-02-10T11:42:13,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h 2026-02-10T11:42:13,176 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 2026-02-10T11:42:13,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2 2026-02-10T11:42:13,180 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 2026-02-10T11:42:13,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4 2026-02-10T11:42:13,185 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 2026-02-10T11:42:13,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2 2026-02-10T11:42:13,189 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 2026-02-10T11:42:13,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2 2026-02-10T11:42:13,193 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 2026-02-10T11:42:13,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8 2026-02-10T11:42:13,197 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 2026-02-10T11:42:13,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:42:13,201 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 2026-02-10T11:42:13,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO 2026-02-10T11:42:13,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1 2026-02-10T11:42:13,208 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 2026-02-10T11:42:13,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4 2026-02-10T11:42:13,212 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 2026-02-10T11:42:13,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3 2026-02-10T11:42:13,216 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 2026-02-10T11:42:13,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9 2026-02-10T11:42:13,221 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 2026-02-10T11:42:13,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7 2026-02-10T11:42:13,225 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 2026-02-10T11:42:13,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10 2026-02-10T11:42:13,229 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 2026-02-10T11:42:13,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6 2026-02-10T11:42:13,233 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 2026-02-10T11:42:13,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5 2026-02-10T11:42:13,238 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 2026-02-10T11:42:13,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2 2026-02-10T11:42:13,242 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 2026-02-10T11:42:13,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8 2026-02-10T11:42:13,246 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 2026-02-10T11:42:13,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76 2026-02-10T11:42:13,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts 2026-02-10T11:42:13,253 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 2026-02-10T11:42:13,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20 2026-02-10T11:42:13,257 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 2026-02-10T11:42:13,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8 2026-02-10T11:42:13,262 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 2026-02-10T11:42:13,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh 2026-02-10T11:42:13,266 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 2026-02-10T11:42:13,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc 2026-02-10T11:42:13,270 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 2026-02-10T11:42:13,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh- 2026-02-10T11:42:13,275 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- 2026-02-10T11:42:13,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19 2026-02-10T11:42:13,279 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 2026-02-10T11:42:13,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts 2026-02-10T11:42:13,283 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 2026-02-10T11:42:13,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:42:13,287 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 2026-02-10T11:42:13,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf 2026-02-10T11:42:13,291 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 2026-02-10T11:42:13,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co 2026-02-10T11:42:13,295 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 2026-02-10T11:42:13,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots 2026-02-10T11:42:13,299 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 2026-02-10T11:42:13,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:42:13,303 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 2026-02-10T11:42:13,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07 2026-02-10T11:42:13,307 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 2026-02-10T11:42:13,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts 2026-02-10T11:42:13,312 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 2026-02-10T11:42:13,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2 2026-02-10T11:42:13,316 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 2026-02-10T11:42:13,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:42:13,321 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 2026-02-10T11:42:13,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4 2026-02-10T11:42:13,325 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 2026-02-10T11:42:13,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f- 2026-02-10T11:42:13,329 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- 2026-02-10T11:42:13,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O 2026-02-10T11:42:13,333 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 2026-02-10T11:42:13,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2 2026-02-10T11:42:13,337 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 2026-02-10T11:42:13,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2 2026-02-10T11:42:13,341 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 2026-02-10T11:42:13,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3 2026-02-10T11:42:13,345 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 2026-02-10T11:42:13,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17 2026-02-10T11:42:13,349 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 2026-02-10T11:42:13,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22 2026-02-10T11:42:13,353 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 2026-02-10T11:42:13,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14 2026-02-10T11:42:13,357 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 2026-02-10T11:42:13,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13 2026-02-10T11:42:13,361 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 2026-02-10T11:42:13,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H 2026-02-10T11:42:13,365 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 2026-02-10T11:42:13,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:42:13,369 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 2026-02-10T11:42:13,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS 2026-02-10T11:42:13,373 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 2026-02-10T11:42:13,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl- 2026-02-10T11:42:13,378 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- 2026-02-10T11:42:13,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:42:13,382 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 2026-02-10T11:42:13,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S 2026-02-10T11:42:13,386 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 2026-02-10T11:42:13,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf 2026-02-10T11:42:13,390 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 2026-02-10T11:42:13,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04 2026-02-10T11:42:13,394 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 2026-02-10T11:42:13,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3 2026-02-10T11:42:13,398 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 2026-02-10T11:42:13,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02 2026-02-10T11:42:13,402 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 2026-02-10T11:42:13,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco 2026-02-10T11:42:13,406 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 2026-02-10T11:42:13,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16 2026-02-10T11:42:13,410 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 2026-02-10T11:42:13,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h 2026-02-10T11:42:13,414 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 2026-02-10T11:42:13,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18 2026-02-10T11:42:13,418 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 2026-02-10T11:42:13,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:42:13,422 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 2026-02-10T11:42:13,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6 2026-02-10T11:42:13,426 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 2026-02-10T11:42:13,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts 2026-02-10T11:42:13,431 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts 2026-02-10T11:42:13,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4 2026-02-10T11:42:13,435 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 2026-02-10T11:42:13,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2 2026-02-10T11:42:13,439 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 2026-02-10T11:42:13,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11 2026-02-10T11:42:13,442 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 2026-02-10T11:42:13,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts 2026-02-10T11:42:13,446 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 2026-02-10T11:42:13,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts 2026-02-10T11:42:13,451 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 2026-02-10T11:42:13,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01 2026-02-10T11:42:13,455 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 2026-02-10T11:42:13,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10 2026-02-10T11:42:13,459 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 2026-02-10T11:42:13,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts 2026-02-10T11:42:13,463 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 2026-02-10T11:42:13,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH 2026-02-10T11:42:13,467 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 2026-02-10T11:42:13,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts 2026-02-10T11:42:13,471 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 2026-02-10T11:42:13,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2 2026-02-10T11:42:13,475 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 2026-02-10T11:42:13,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5 2026-02-10T11:42:13,479 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 2026-02-10T11:42:13,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12 2026-02-10T11:42:13,483 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 2026-02-10T11:42:13,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06 2026-02-10T11:42:13,487 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 2026-02-10T11:42:13,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh 2026-02-10T11:42:13,491 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 2026-02-10T11:42:13,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15 2026-02-10T11:42:13,495 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 2026-02-10T11:42:13,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7 2026-02-10T11:42:13,499 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 2026-02-10T11:42:13,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O 2026-02-10T11:42:13,503 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 2026-02-10T11:42:13,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08 2026-02-10T11:42:13,507 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 2026-02-10T11:42:13,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts 2026-02-10T11:42:13,511 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 2026-02-10T11:42:13,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05 2026-02-10T11:42:13,516 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 2026-02-10T11:42:13,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts 2026-02-10T11:42:13,520 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 2026-02-10T11:42:13,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f 2026-02-10T11:42:13,524 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 2026-02-10T11:42:13,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl 2026-02-10T11:42:13,528 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 2026-02-10T11:42:13,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2 2026-02-10T11:42:13,532 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 2026-02-10T11:42:13,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts 2026-02-10T11:42:13,536 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 2026-02-10T11:42:13,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts 2026-02-10T11:42:13,540 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 2026-02-10T11:42:13,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03 2026-02-10T11:42:13,544 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 2026-02-10T11:42:13,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts 2026-02-10T11:42:13,548 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 2026-02-10T11:42:13,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts 2026-02-10T11:42:13,552 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 2026-02-10T11:42:13,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts 2026-02-10T11:42:13,556 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 2026-02-10T11:42:13,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2 2026-02-10T11:42:13,560 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 2026-02-10T11:42:13,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o 2026-02-10T11:42:13,564 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 2026-02-10T11:42:13,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl 2026-02-10T11:42:13,568 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 2026-02-10T11:42:13,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f 2026-02-10T11:42:13,572 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 2026-02-10T11:42:13,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3 2026-02-10T11:42:13,576 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 2026-02-10T11:42:13,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21 2026-02-10T11:42:13,580 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 2026-02-10T11:42:13,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn 2026-02-10T11:42:13,584 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 2026-02-10T11:42:13,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl 2026-02-10T11:42:13,588 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 2026-02-10T11:42:13,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5 2026-02-10T11:42:13,592 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 2026-02-10T11:42:13,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH 2026-02-10T11:42:13,596 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 2026-02-10T11:42:13,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09 2026-02-10T11:42:13,600 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 2026-02-10T11:42:13,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12 2026-02-10T11:42:13,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL 2026-02-10T11:42:13,607 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 2026-02-10T11:42:13,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:42:13,611 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 2026-02-10T11:42:13,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:42:13,615 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 2026-02-10T11:42:13,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N 2026-02-10T11:42:13,619 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 2026-02-10T11:42:13,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:42:13,623 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 2026-02-10T11:42:13,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:42:13,627 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 2026-02-10T11:42:13,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:42:13,631 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 2026-02-10T11:42:13,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:42:13,635 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 2026-02-10T11:42:13,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:42:13,639 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 2026-02-10T11:42:13,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:42:13,643 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 2026-02-10T11:42:13,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:42:13,647 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 2026-02-10T11:42:13,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:42:13,651 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 2026-02-10T11:42:13,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O 2026-02-10T11:42:13,655 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 2026-02-10T11:42:13,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:42:13,659 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 2026-02-10T11:42:13,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N 2026-02-10T11:42:13,664 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 2026-02-10T11:42:13,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N 2026-02-10T11:42:13,668 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 2026-02-10T11:42:13,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:42:13,672 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 2026-02-10T11:42:13,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:42:13,676 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 2026-02-10T11:42:13,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL 2026-02-10T11:42:13,680 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 2026-02-10T11:42:13,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:42:13,684 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 2026-02-10T11:42:13,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:42:13,687 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 2026-02-10T11:42:13,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:42:13,691 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 2026-02-10T11:42:13,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:42:13,694 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 2026-02-10T11:42:13,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:42:13,699 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 2026-02-10T11:42:13,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL 2026-02-10T11:42:13,702 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 2026-02-10T11:42:13,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:42:13,705 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 2026-02-10T11:42:13,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O 2026-02-10T11:42:13,709 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 2026-02-10T11:42:13,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:42:13,712 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 2026-02-10T11:42:13,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O 2026-02-10T11:42:13,716 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 2026-02-10T11:42:13,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:42:13,719 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 2026-02-10T11:42:13,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:42:13,723 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 2026-02-10T11:42:13,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:42:13,726 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 2026-02-10T11:42:13,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:42:13,730 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 2026-02-10T11:42:13,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL 2026-02-10T11:42:13,733 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 2026-02-10T11:42:13,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N 2026-02-10T11:42:13,737 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 2026-02-10T11:42:13,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O 2026-02-10T11:42:13,740 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 2026-02-10T11:42:13,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43 2026-02-10T11:42:13,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37 2026-02-10T11:42:13,748 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 2026-02-10T11:42:13,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41 2026-02-10T11:42:13,752 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 2026-02-10T11:42:13,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25 2026-02-10T11:42:13,755 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 2026-02-10T11:42:13,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39 2026-02-10T11:42:13,758 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 2026-02-10T11:42:13,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45 2026-02-10T11:42:13,762 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 2026-02-10T11:42:13,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24 2026-02-10T11:42:13,765 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 2026-02-10T11:42:13,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23 2026-02-10T11:42:13,769 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 2026-02-10T11:42:13,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19 2026-02-10T11:42:13,772 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 2026-02-10T11:42:13,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21 2026-02-10T11:42:13,776 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 2026-02-10T11:42:13,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45 2026-02-10T11:42:13,779 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 2026-02-10T11:42:13,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26 2026-02-10T11:42:13,783 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 2026-02-10T11:42:13,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40 2026-02-10T11:42:13,787 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 2026-02-10T11:42:13,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44 2026-02-10T11:42:13,790 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 2026-02-10T11:42:13,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37 2026-02-10T11:42:13,794 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 2026-02-10T11:42:13,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9 2026-02-10T11:42:13,797 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 2026-02-10T11:42:13,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3 2026-02-10T11:42:13,801 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 2026-02-10T11:42:13,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6 2026-02-10T11:42:13,805 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 2026-02-10T11:42:13,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4 2026-02-10T11:42:13,808 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 2026-02-10T11:42:13,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20 2026-02-10T11:42:13,812 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 2026-02-10T11:42:13,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27 2026-02-10T11:42:13,815 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 2026-02-10T11:42:13,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43 2026-02-10T11:42:13,819 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 2026-02-10T11:42:13,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6 2026-02-10T11:42:13,822 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 2026-02-10T11:42:13,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36 2026-02-10T11:42:13,826 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 2026-02-10T11:42:13,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26 2026-02-10T11:42:13,829 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 2026-02-10T11:42:13,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36 2026-02-10T11:42:13,834 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 2026-02-10T11:42:13,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30 2026-02-10T11:42:13,840 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 2026-02-10T11:42:13,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22 2026-02-10T11:42:13,845 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 2026-02-10T11:42:13,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10 2026-02-10T11:42:13,848 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 2026-02-10T11:42:13,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20 2026-02-10T11:42:13,852 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 2026-02-10T11:42:13,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11 2026-02-10T11:42:13,856 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 2026-02-10T11:42:13,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7 2026-02-10T11:42:13,860 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 2026-02-10T11:42:13,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34 2026-02-10T11:42:13,864 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 2026-02-10T11:42:13,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7 2026-02-10T11:42:13,868 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 2026-02-10T11:42:13,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32 2026-02-10T11:42:13,871 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 2026-02-10T11:42:13,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30 2026-02-10T11:42:13,875 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 2026-02-10T11:42:13,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44 2026-02-10T11:42:13,878 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 2026-02-10T11:42:13,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42 2026-02-10T11:42:13,882 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 2026-02-10T11:42:13,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1 2026-02-10T11:42:13,886 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 2026-02-10T11:42:13,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12 2026-02-10T11:42:13,889 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 2026-02-10T11:42:13,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4 2026-02-10T11:42:13,893 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 2026-02-10T11:42:13,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43 2026-02-10T11:42:13,896 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 2026-02-10T11:42:13,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15 2026-02-10T11:42:13,900 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 2026-02-10T11:42:13,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15 2026-02-10T11:42:13,904 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 2026-02-10T11:42:13,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2 2026-02-10T11:42:13,907 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 2026-02-10T11:42:13,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22 2026-02-10T11:42:13,911 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 2026-02-10T11:42:13,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23 2026-02-10T11:42:13,915 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 2026-02-10T11:42:13,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38 2026-02-10T11:42:13,918 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 2026-02-10T11:42:13,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24 2026-02-10T11:42:13,922 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 2026-02-10T11:42:13,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16 2026-02-10T11:42:13,925 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 2026-02-10T11:42:13,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34 2026-02-10T11:42:13,929 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 2026-02-10T11:42:13,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10 2026-02-10T11:42:13,932 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 2026-02-10T11:42:13,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17 2026-02-10T11:42:13,936 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 2026-02-10T11:42:13,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17 2026-02-10T11:42:13,940 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 2026-02-10T11:42:13,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3 2026-02-10T11:42:13,943 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 2026-02-10T11:42:13,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35 2026-02-10T11:42:13,947 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 2026-02-10T11:42:13,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21 2026-02-10T11:42:13,951 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 2026-02-10T11:42:13,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27 2026-02-10T11:42:13,955 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 2026-02-10T11:42:13,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13 2026-02-10T11:42:13,958 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 2026-02-10T11:42:13,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5 2026-02-10T11:42:13,961 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 2026-02-10T11:42:13,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31 2026-02-10T11:42:13,965 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 2026-02-10T11:42:13,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35 2026-02-10T11:42:13,968 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 2026-02-10T11:42:13,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8 2026-02-10T11:42:13,972 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 2026-02-10T11:42:13,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29 2026-02-10T11:42:13,975 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 2026-02-10T11:42:13,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1 2026-02-10T11:42:13,979 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 2026-02-10T11:42:13,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2 2026-02-10T11:42:13,983 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 2026-02-10T11:42:13,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42 2026-02-10T11:42:13,986 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 2026-02-10T11:42:13,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5 2026-02-10T11:42:13,989 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 2026-02-10T11:42:13,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33 2026-02-10T11:42:13,993 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 2026-02-10T11:42:13,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38 2026-02-10T11:42:13,996 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 2026-02-10T11:42:13,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31 2026-02-10T11:42:14,000 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 2026-02-10T11:42:14,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33 2026-02-10T11:42:14,004 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 2026-02-10T11:42:14,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16 2026-02-10T11:42:14,007 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 2026-02-10T11:42:14,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9 2026-02-10T11:42:14,010 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 2026-02-10T11:42:14,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11 2026-02-10T11:42:14,014 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 2026-02-10T11:42:14,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12 2026-02-10T11:42:14,017 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 2026-02-10T11:42:14,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8 2026-02-10T11:42:14,021 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 2026-02-10T11:42:14,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29 2026-02-10T11:42:14,025 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 2026-02-10T11:42:14,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25 2026-02-10T11:42:14,028 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 2026-02-10T11:42:14,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13 2026-02-10T11:42:14,032 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 2026-02-10T11:42:14,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40 2026-02-10T11:42:14,035 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 2026-02-10T11:42:14,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28 2026-02-10T11:42:14,039 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 2026-02-10T11:42:14,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18 2026-02-10T11:42:14,043 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 2026-02-10T11:42:14,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41 2026-02-10T11:42:14,047 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 2026-02-10T11:42:14,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19 2026-02-10T11:42:14,050 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 2026-02-10T11:42:14,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18 2026-02-10T11:42:14,054 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 2026-02-10T11:42:14,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39 2026-02-10T11:42:14,058 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 2026-02-10T11:42:14,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32 2026-02-10T11:42:14,061 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 2026-02-10T11:42:14,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28 2026-02-10T11:42:14,065 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 2026-02-10T11:42:14,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10 2026-02-10T11:42:14,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo 2026-02-10T11:42:14,070 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 2026-02-10T11:42:14,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef 2026-02-10T11:42:14,074 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 2026-02-10T11:42:14,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:42:14,077 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 2026-02-10T11:42:14,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o 2026-02-10T11:42:14,080 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 2026-02-10T11:42:14,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be 2026-02-10T11:42:14,084 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 2026-02-10T11:42:14,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na 2026-02-10T11:42:14,087 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 2026-02-10T11:42:14,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf 2026-02-10T11:42:14,091 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 2026-02-10T11:42:14,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao 2026-02-10T11:42:14,095 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 2026-02-10T11:42:14,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h 2026-02-10T11:42:14,098 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 2026-02-10T11:42:14,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca 2026-02-10T11:42:14,101 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 2026-02-10T11:42:14,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li 2026-02-10T11:42:14,105 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 2026-02-10T11:42:14,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s 2026-02-10T11:42:14,109 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 2026-02-10T11:42:14,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k 2026-02-10T11:42:14,112 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 2026-02-10T11:42:14,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg 2026-02-10T11:42:14,115 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 2026-02-10T11:42:14,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf 2026-02-10T11:42:14,119 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 2026-02-10T11:42:14,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f 2026-02-10T11:42:14,122 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 2026-02-10T11:42:14,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:42:14,126 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 2026-02-10T11:42:14,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao 2026-02-10T11:42:14,129 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 2026-02-10T11:42:14,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio 2026-02-10T11:42:14,133 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 2026-02-10T11:42:14,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif 2026-02-10T11:42:14,136 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 2026-02-10T11:42:14,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC 2026-02-10T11:42:14,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1 2026-02-10T11:42:14,142 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 2026-02-10T11:42:14,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128 2026-02-10T11:42:14,146 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 2026-02-10T11:42:14,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18 2026-02-10T11:42:14,149 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 2026-02-10T11:42:14,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117 2026-02-10T11:42:14,153 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 2026-02-10T11:42:14,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97 2026-02-10T11:42:14,156 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 2026-02-10T11:42:14,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34 2026-02-10T11:42:14,159 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 2026-02-10T11:42:14,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13 2026-02-10T11:42:14,163 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 2026-02-10T11:42:14,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126 2026-02-10T11:42:14,166 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 2026-02-10T11:42:14,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94 2026-02-10T11:42:14,170 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 2026-02-10T11:42:14,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62 2026-02-10T11:42:14,173 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 2026-02-10T11:42:14,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82 2026-02-10T11:42:14,177 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 2026-02-10T11:42:14,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45 2026-02-10T11:42:14,181 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 2026-02-10T11:42:14,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104 2026-02-10T11:42:14,184 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 2026-02-10T11:42:14,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66 2026-02-10T11:42:14,187 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 2026-02-10T11:42:14,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61 2026-02-10T11:42:14,191 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 2026-02-10T11:42:14,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118 2026-02-10T11:42:14,194 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 2026-02-10T11:42:14,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59 2026-02-10T11:42:14,197 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 2026-02-10T11:42:14,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73 2026-02-10T11:42:14,201 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 2026-02-10T11:42:14,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100 2026-02-10T11:42:14,204 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 2026-02-10T11:42:14,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88 2026-02-10T11:42:14,208 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 2026-02-10T11:42:14,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25 2026-02-10T11:42:14,211 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 2026-02-10T11:42:14,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30 2026-02-10T11:42:14,215 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 2026-02-10T11:42:14,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67 2026-02-10T11:42:14,218 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 2026-02-10T11:42:14,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57 2026-02-10T11:42:14,222 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 2026-02-10T11:42:14,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56 2026-02-10T11:42:14,225 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 2026-02-10T11:42:14,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22 2026-02-10T11:42:14,228 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 2026-02-10T11:42:14,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23 2026-02-10T11:42:14,232 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 2026-02-10T11:42:14,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47 2026-02-10T11:42:14,235 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 2026-02-10T11:42:14,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26 2026-02-10T11:42:14,239 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 2026-02-10T11:42:14,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6 2026-02-10T11:42:14,242 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 2026-02-10T11:42:14,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40 2026-02-10T11:42:14,245 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 2026-02-10T11:42:14,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51 2026-02-10T11:42:14,249 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 2026-02-10T11:42:14,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11 2026-02-10T11:42:14,252 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 2026-02-10T11:42:14,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32 2026-02-10T11:42:14,255 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 2026-02-10T11:42:14,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106 2026-02-10T11:42:14,259 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 2026-02-10T11:42:14,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24 2026-02-10T11:42:14,262 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 2026-02-10T11:42:14,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121 2026-02-10T11:42:14,265 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 2026-02-10T11:42:14,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21 2026-02-10T11:42:14,269 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 2026-02-10T11:42:14,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60 2026-02-10T11:42:14,272 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 2026-02-10T11:42:14,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52 2026-02-10T11:42:14,275 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 2026-02-10T11:42:14,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39 2026-02-10T11:42:14,279 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 2026-02-10T11:42:14,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113 2026-02-10T11:42:14,282 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 2026-02-10T11:42:14,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14 2026-02-10T11:42:14,285 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 2026-02-10T11:42:14,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33 2026-02-10T11:42:14,289 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 2026-02-10T11:42:14,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68 2026-02-10T11:42:14,292 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 2026-02-10T11:42:14,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58 2026-02-10T11:42:14,295 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 2026-02-10T11:42:14,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8 2026-02-10T11:42:14,299 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 2026-02-10T11:42:14,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51 2026-02-10T11:42:14,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane 2026-02-10T11:42:14,306 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 2026-02-10T11:42:14,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:42:14,309 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 2026-02-10T11:42:14,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran 2026-02-10T11:42:14,313 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 2026-02-10T11:42:14,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:42:14,316 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 2026-02-10T11:42:14,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:42:14,319 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 2026-02-10T11:42:14,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran 2026-02-10T11:42:14,322 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 2026-02-10T11:42:14,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:42:14,326 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 2026-02-10T11:42:14,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene 2026-02-10T11:42:14,329 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 2026-02-10T11:42:14,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene 2026-02-10T11:42:14,333 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 2026-02-10T11:42:14,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne 2026-02-10T11:42:14,337 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 2026-02-10T11:42:14,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN 2026-02-10T11:42:14,340 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 2026-02-10T11:42:14,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:42:14,344 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 2026-02-10T11:42:14,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane 2026-02-10T11:42:14,348 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 2026-02-10T11:42:14,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2 2026-02-10T11:42:14,351 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 2026-02-10T11:42:14,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol 2026-02-10T11:42:14,355 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 2026-02-10T11:42:14,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:42:14,358 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 2026-02-10T11:42:14,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O 2026-02-10T11:42:14,361 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 2026-02-10T11:42:14,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:42:14,365 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 2026-02-10T11:42:14,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:42:14,368 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 2026-02-10T11:42:14,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole 2026-02-10T11:42:14,372 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 2026-02-10T11:42:14,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:42:14,375 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 2026-02-10T11:42:14,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:42:14,379 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 2026-02-10T11:42:14,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:42:14,382 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 2026-02-10T11:42:14,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione 2026-02-10T11:42:14,386 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 2026-02-10T11:42:14,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN 2026-02-10T11:42:14,389 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 2026-02-10T11:42:14,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene 2026-02-10T11:42:14,393 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 2026-02-10T11:42:14,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:42:14,396 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 2026-02-10T11:42:14,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol 2026-02-10T11:42:14,399 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 2026-02-10T11:42:14,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S 2026-02-10T11:42:14,403 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 2026-02-10T11:42:14,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:42:14,406 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 2026-02-10T11:42:14,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO 2026-02-10T11:42:14,410 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 2026-02-10T11:42:14,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:42:14,413 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 2026-02-10T11:42:14,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:42:14,417 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 2026-02-10T11:42:14,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:42:14,421 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 2026-02-10T11:42:14,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine 2026-02-10T11:42:14,425 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 2026-02-10T11:42:14,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2 2026-02-10T11:42:14,428 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 2026-02-10T11:42:14,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:42:14,432 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 2026-02-10T11:42:14,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO 2026-02-10T11:42:14,436 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 2026-02-10T11:42:14,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:42:14,439 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 2026-02-10T11:42:14,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:42:14,443 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 2026-02-10T11:42:14,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:42:14,446 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 2026-02-10T11:42:14,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene 2026-02-10T11:42:14,450 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 2026-02-10T11:42:14,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane 2026-02-10T11:42:14,453 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 2026-02-10T11:42:14,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:42:14,456 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 2026-02-10T11:42:14,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:42:14,460 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 2026-02-10T11:42:14,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:42:14,463 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 2026-02-10T11:42:14,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2 2026-02-10T11:42:14,467 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 2026-02-10T11:42:14,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne 2026-02-10T11:42:14,472 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 2026-02-10T11:42:14,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne 2026-02-10T11:42:14,476 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 2026-02-10T11:42:14,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:42:14,480 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 2026-02-10T11:42:14,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene 2026-02-10T11:42:14,483 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 2026-02-10T11:42:14,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:42:14,487 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 2026-02-10T11:42:14,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine 2026-02-10T11:42:14,490 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 2026-02-10T11:42:14,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:42:14,493 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 2026-02-10T11:42:14,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene 2026-02-10T11:42:14,497 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 2026-02-10T11:42:14,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:42:14,500 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 2026-02-10T11:42:14,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:42:14,504 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 2026-02-10T11:42:14,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:42:14,507 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:42:14,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:42:14,511 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 2026-02-10T11:42:14,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl 2026-02-10T11:42:14,514 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 2026-02-10T11:42:14,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:42:14,518 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 2026-02-10T11:42:14,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:42:14,523 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 2026-02-10T11:42:14,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne 2026-02-10T11:42:14,527 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 2026-02-10T11:42:14,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:42:14,530 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 2026-02-10T11:42:14,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol 2026-02-10T11:42:14,533 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 2026-02-10T11:42:14,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2 2026-02-10T11:42:14,537 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 2026-02-10T11:42:14,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene 2026-02-10T11:42:14,540 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 2026-02-10T11:42:14,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:42:14,543 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 2026-02-10T11:42:14,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O 2026-02-10T11:42:14,547 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 2026-02-10T11:42:14,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:42:14,551 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 2026-02-10T11:42:14,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:42:14,554 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 2026-02-10T11:42:14,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene 2026-02-10T11:42:14,558 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 2026-02-10T11:42:14,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane 2026-02-10T11:42:14,562 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 2026-02-10T11:42:14,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:42:14,565 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 2026-02-10T11:42:14,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:42:14,568 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 2026-02-10T11:42:14,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:42:14,571 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 2026-02-10T11:42:14,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH 2026-02-10T11:42:14,575 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 2026-02-10T11:42:14,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol 2026-02-10T11:42:14,578 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 2026-02-10T11:42:14,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2 2026-02-10T11:42:14,581 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 2026-02-10T11:42:14,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:42:14,585 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 2026-02-10T11:42:14,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:42:14,588 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 2026-02-10T11:42:14,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:42:14,592 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 2026-02-10T11:42:14,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:42:14,595 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 2026-02-10T11:42:14,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3 2026-02-10T11:42:14,599 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 2026-02-10T11:42:14,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:42:14,602 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 2026-02-10T11:42:14,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:42:14,606 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 2026-02-10T11:42:14,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:42:14,609 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 2026-02-10T11:42:14,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11 2026-02-10T11:42:14,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:42:14,614 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 2026-02-10T11:42:14,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:42:14,618 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 2026-02-10T11:42:14,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:42:14,621 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 2026-02-10T11:42:14,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:42:14,624 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 2026-02-10T11:42:14,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br 2026-02-10T11:42:14,628 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 2026-02-10T11:42:14,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:42:14,631 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 2026-02-10T11:42:14,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:42:14,635 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 2026-02-10T11:42:14,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:42:14,638 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 2026-02-10T11:42:14,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:42:14,642 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 2026-02-10T11:42:14,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:42:14,646 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 2026-02-10T11:42:14,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:42:14,649 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 2026-02-10T11:42:14,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:42:14,653 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 2026-02-10T11:42:14,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:42:14,656 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 2026-02-10T11:42:14,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:42:14,660 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 2026-02-10T11:42:14,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:42:14,663 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 2026-02-10T11:42:14,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:42:14,666 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 2026-02-10T11:42:14,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:42:14,670 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 2026-02-10T11:42:14,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:42:14,673 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 2026-02-10T11:42:14,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:42:14,677 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 2026-02-10T11:42:14,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:42:14,680 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 2026-02-10T11:42:14,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:42:14,684 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 2026-02-10T11:42:14,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:42:14,687 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 2026-02-10T11:42:14,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10 2026-02-10T11:42:14,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:42:14,693 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 2026-02-10T11:42:14,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:42:14,696 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+ 2026-02-10T11:42:14,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:42:14,699 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+ 2026-02-10T11:42:14,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s 2026-02-10T11:42:14,703 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 2026-02-10T11:42:14,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3 2026-02-10T11:42:14,706 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 2026-02-10T11:42:14,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:42:14,710 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 2026-02-10T11:42:14,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:42:14,714 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 2026-02-10T11:42:14,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be 2026-02-10T11:42:14,717 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 2026-02-10T11:42:14,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:42:14,721 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+ 2026-02-10T11:42:14,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:42:14,724 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+ 2026-02-10T11:42:14,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:42:14,728 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+ 2026-02-10T11:42:14,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3 2026-02-10T11:42:14,732 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 2026-02-10T11:42:14,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:42:14,735 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+ 2026-02-10T11:42:14,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg 2026-02-10T11:42:14,738 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 2026-02-10T11:42:14,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:42:14,742 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 2026-02-10T11:42:14,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:42:14,746 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+ 2026-02-10T11:42:14,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:42:14,750 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+ 2026-02-10T11:42:14,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:42:14,753 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+ 2026-02-10T11:42:14,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:42:14,757 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 2026-02-10T11:42:14,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:42:14,761 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+ 2026-02-10T11:42:14,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF 2026-02-10T11:42:14,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:42:14,767 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 2026-02-10T11:42:14,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1 2026-02-10T11:42:14,770 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 2026-02-10T11:42:14,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:42:14,774 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 2026-02-10T11:42:14,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:42:14,777 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 2026-02-10T11:42:14,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:42:14,780 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 2026-02-10T11:42:14,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:42:14,784 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 2026-02-10T11:42:14,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:42:14,787 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 2026-02-10T11:42:14,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:42:14,790 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 2026-02-10T11:42:14,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:42:14,794 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 2026-02-10T11:42:14,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:42:14,797 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 2026-02-10T11:42:14,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:42:14,801 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 2026-02-10T11:42:14,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:42:14,804 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 2026-02-10T11:42:14,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:42:14,807 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 2026-02-10T11:42:14,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:42:14,811 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 2026-02-10T11:42:14,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:42:14,814 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 2026-02-10T11:42:14,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:42:14,818 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 2026-02-10T11:42:14,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2 2026-02-10T11:42:14,821 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 2026-02-10T11:42:14,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:42:14,825 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 2026-02-10T11:42:14,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:42:14,828 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 2026-02-10T11:42:14,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:42:14,832 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 2026-02-10T11:42:14,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:42:14,838 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 2026-02-10T11:42:14,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:42:14,843 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 2026-02-10T11:42:14,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:42:14,849 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 2026-02-10T11:42:14,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:42:14,853 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 2026-02-10T11:42:14,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:42:14,856 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 2026-02-10T11:42:14,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:42:14,860 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 2026-02-10T11:42:14,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:42:14,864 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 2026-02-10T11:42:14,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13 2026-02-10T11:42:14,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2 2026-02-10T11:42:14,870 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 2026-02-10T11:42:14,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:42:14,873 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 2026-02-10T11:42:14,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:42:14,877 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 2026-02-10T11:42:14,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2 2026-02-10T11:42:14,880 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 2026-02-10T11:42:14,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4 2026-02-10T11:42:14,883 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 2026-02-10T11:42:14,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3 2026-02-10T11:42:14,887 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 2026-02-10T11:42:14,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4 2026-02-10T11:42:14,890 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 2026-02-10T11:42:14,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:42:14,894 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 2026-02-10T11:42:14,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:42:14,897 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 2026-02-10T11:42:14,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3 2026-02-10T11:42:14,900 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 2026-02-10T11:42:14,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:42:14,904 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 2026-02-10T11:42:14,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5 2026-02-10T11:42:14,908 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 2026-02-10T11:42:14,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:42:14,911 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 2026-02-10T11:42:14,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf 2026-02-10T11:42:14,915 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 2026-02-10T11:42:14,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:42:14,918 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 2026-02-10T11:42:14,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:42:14,922 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 2026-02-10T11:42:14,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:42:14,926 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 2026-02-10T11:42:14,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6 2026-02-10T11:42:14,929 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 2026-02-10T11:42:14,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4 2026-02-10T11:42:14,933 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 2026-02-10T11:42:14,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o 2026-02-10T11:42:14,936 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 2026-02-10T11:42:14,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6 2026-02-10T11:42:14,940 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 2026-02-10T11:42:14,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:42:14,943 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 2026-02-10T11:42:14,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3 2026-02-10T11:42:14,947 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 2026-02-10T11:42:14,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:42:14,950 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 2026-02-10T11:42:14,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:42:14,954 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 2026-02-10T11:42:14,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5 2026-02-10T11:42:14,958 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 2026-02-10T11:42:14,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2 2026-02-10T11:42:14,961 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 2026-02-10T11:42:14,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3 2026-02-10T11:42:14,965 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 2026-02-10T11:42:14,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:42:14,968 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 2026-02-10T11:42:14,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28 2026-02-10T11:42:14,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:42:14,974 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 2026-02-10T11:42:14,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:42:14,977 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 2026-02-10T11:42:14,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:42:14,981 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 2026-02-10T11:42:14,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s 2026-02-10T11:42:14,984 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 2026-02-10T11:42:14,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3 2026-02-10T11:42:14,987 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 2026-02-10T11:42:14,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:42:14,991 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 2026-02-10T11:42:14,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:42:14,995 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 2026-02-10T11:42:14,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:42:14,998 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 2026-02-10T11:42:15,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:42:15,001 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:42:15,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:42:15,005 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 2026-02-10T11:42:15,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:42:15,008 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 2026-02-10T11:42:15,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:42:15,012 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 2026-02-10T11:42:15,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o 2026-02-10T11:42:15,016 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 2026-02-10T11:42:15,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:42:15,019 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 2026-02-10T11:42:15,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi 2026-02-10T11:42:15,022 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 2026-02-10T11:42:15,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:42:15,026 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 2026-02-10T11:42:15,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:42:15,030 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 2026-02-10T11:42:15,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:42:15,035 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 2026-02-10T11:42:15,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:42:15,041 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 2026-02-10T11:42:15,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:42:15,046 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 2026-02-10T11:42:15,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:42:15,051 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 2026-02-10T11:42:15,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:42:15,057 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 2026-02-10T11:42:15,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr 2026-02-10T11:42:15,061 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 2026-02-10T11:42:15,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:42:15,067 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 2026-02-10T11:42:15,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:42:15,078 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 2026-02-10T11:42:15,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3 2026-02-10T11:42:15,083 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 2026-02-10T11:42:15,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:42:15,087 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 2026-02-10T11:42:15,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:42:15,091 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 2026-02-10T11:42:15,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:42:15,094 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 2026-02-10T11:42:15,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:42:15,098 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 2026-02-10T11:42:15,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl 2026-02-10T11:42:15,102 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 2026-02-10T11:42:15,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:42:15,105 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 2026-02-10T11:42:15,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:42:15,109 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 2026-02-10T11:42:15,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:42:15,112 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 2026-02-10T11:42:15,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:42:15,116 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 2026-02-10T11:42:15,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:42:15,119 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 2026-02-10T11:42:15,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:42:15,122 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 2026-02-10T11:42:15,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2 2026-02-10T11:42:15,126 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 2026-02-10T11:42:15,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP 2026-02-10T11:42:15,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2 2026-02-10T11:42:15,131 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 2026-02-10T11:42:15,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l 2026-02-10T11:42:15,135 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 2026-02-10T11:42:15,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f 2026-02-10T11:42:15,138 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 2026-02-10T11:42:15,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1 2026-02-10T11:42:15,142 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 2026-02-10T11:42:15,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant 2026-02-10T11:42:15,145 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 2026-02-10T11:42:15,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2 2026-02-10T11:42:15,149 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 2026-02-10T11:42:15,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l 2026-02-10T11:42:15,152 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 2026-02-10T11:42:15,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene 2026-02-10T11:42:15,156 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 2026-02-10T11:42:15,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22 2026-02-10T11:42:15,159 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 2026-02-10T11:42:15,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1 2026-02-10T11:42:15,163 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 2026-02-10T11:42:15,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f 2026-02-10T11:42:15,166 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 2026-02-10T11:42:15,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer 2026-02-10T11:42:15,170 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 2026-02-10T11:42:15,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2 2026-02-10T11:42:15,173 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 2026-02-10T11:42:15,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24 2026-02-10T11:42:15,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:42:15,179 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 2026-02-10T11:42:15,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:42:15,182 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 2026-02-10T11:42:15,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:42:15,186 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 2026-02-10T11:42:15,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:42:15,189 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 2026-02-10T11:42:15,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:42:15,193 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 2026-02-10T11:42:15,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:42:15,196 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 2026-02-10T11:42:15,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3 2026-02-10T11:42:15,200 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 2026-02-10T11:42:15,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2 2026-02-10T11:42:15,203 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 2026-02-10T11:42:15,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:42:15,208 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 2026-02-10T11:42:15,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:42:15,212 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 2026-02-10T11:42:15,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3 2026-02-10T11:42:15,215 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 2026-02-10T11:42:15,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS 2026-02-10T11:42:15,219 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 2026-02-10T11:42:15,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:42:15,222 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 2026-02-10T11:42:15,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:42:15,227 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 2026-02-10T11:42:15,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O 2026-02-10T11:42:15,231 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 2026-02-10T11:42:15,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3 2026-02-10T11:42:15,234 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 2026-02-10T11:42:15,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3 2026-02-10T11:42:15,237 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 2026-02-10T11:42:15,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:42:15,241 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 2026-02-10T11:42:15,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether 2026-02-10T11:42:15,244 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 2026-02-10T11:42:15,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph 2026-02-10T11:42:15,247 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 2026-02-10T11:42:15,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S 2026-02-10T11:42:15,251 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 2026-02-10T11:42:15,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:42:15,254 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 2026-02-10T11:42:15,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:42:15,258 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 2026-02-10T11:42:15,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:42:15,261 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 2026-02-10T11:42:15,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:42:15,265 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 2026-02-10T11:42:15,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:42:15,268 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 2026-02-10T11:42:15,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:42:15,272 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 2026-02-10T11:42:15,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:42:15,275 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 2026-02-10T11:42:15,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:42:15,278 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 2026-02-10T11:42:15,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS 2026-02-10T11:42:15,282 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 2026-02-10T11:42:15,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether 2026-02-10T11:42:15,285 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 2026-02-10T11:42:15,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:42:15,288 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 2026-02-10T11:42:15,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:42:15,292 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 2026-02-10T11:42:15,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:42:15,295 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 2026-02-10T11:42:15,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:42:15,299 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 2026-02-10T11:42:15,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:42:15,302 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 2026-02-10T11:42:15,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3 2026-02-10T11:42:15,306 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 2026-02-10T11:42:15,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:42:15,309 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 2026-02-10T11:42:15,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene 2026-02-10T11:42:15,313 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 2026-02-10T11:42:15,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:42:15,316 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 2026-02-10T11:42:15,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene 2026-02-10T11:42:15,320 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 2026-02-10T11:42:15,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:42:15,323 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 2026-02-10T11:42:15,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS 2026-02-10T11:42:15,327 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 2026-02-10T11:42:15,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:42:15,330 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 2026-02-10T11:42:15,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:42:15,334 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 2026-02-10T11:42:15,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:42:15,337 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 2026-02-10T11:42:15,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:42:15,341 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 2026-02-10T11:42:15,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS 2026-02-10T11:42:15,344 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 2026-02-10T11:42:15,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23 2026-02-10T11:42:15,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b 2026-02-10T11:42:15,350 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 2026-02-10T11:42:15,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1 2026-02-10T11:42:15,354 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 2026-02-10T11:42:15,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b 2026-02-10T11:42:15,357 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 2026-02-10T11:42:15,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a 2026-02-10T11:42:15,360 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 2026-02-10T11:42:15,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b 2026-02-10T11:42:15,364 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 2026-02-10T11:42:15,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b 2026-02-10T11:42:15,367 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 2026-02-10T11:42:15,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4 2026-02-10T11:42:15,371 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 2026-02-10T11:42:15,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b 2026-02-10T11:42:15,374 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 2026-02-10T11:42:15,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b 2026-02-10T11:42:15,378 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 2026-02-10T11:42:15,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12 2026-02-10T11:42:15,381 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 2026-02-10T11:42:15,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a 2026-02-10T11:42:15,385 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 2026-02-10T11:42:15,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a 2026-02-10T11:42:15,388 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 2026-02-10T11:42:15,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a 2026-02-10T11:42:15,392 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 2026-02-10T11:42:15,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b 2026-02-10T11:42:15,395 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 2026-02-10T11:42:15,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18 2026-02-10T11:42:15,399 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 2026-02-10T11:42:15,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13 2026-02-10T11:42:15,402 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 2026-02-10T11:42:15,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b 2026-02-10T11:42:15,406 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 2026-02-10T11:42:15,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b 2026-02-10T11:42:15,409 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 2026-02-10T11:42:15,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a 2026-02-10T11:42:15,412 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 2026-02-10T11:42:15,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b 2026-02-10T11:42:15,416 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 2026-02-10T11:42:15,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b 2026-02-10T11:42:15,419 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 2026-02-10T11:42:15,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20 2026-02-10T11:42:15,423 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 2026-02-10T11:42:15,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a 2026-02-10T11:42:15,428 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 2026-02-10T11:42:15,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b 2026-02-10T11:42:15,436 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 2026-02-10T11:42:15,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a 2026-02-10T11:42:15,440 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 2026-02-10T11:42:15,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3 2026-02-10T11:42:15,445 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 2026-02-10T11:42:15,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b 2026-02-10T11:42:15,454 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 2026-02-10T11:42:15,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a 2026-02-10T11:42:15,473 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 2026-02-10T11:42:15,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16 2026-02-10T11:42:15,478 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 2026-02-10T11:42:15,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a 2026-02-10T11:42:15,481 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 2026-02-10T11:42:15,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b 2026-02-10T11:42:15,484 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 2026-02-10T11:42:15,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9 2026-02-10T11:42:15,488 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 2026-02-10T11:42:15,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22 2026-02-10T11:42:15,491 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 2026-02-10T11:42:15,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7 2026-02-10T11:42:15,495 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 2026-02-10T11:42:15,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23 2026-02-10T11:42:15,498 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 2026-02-10T11:42:15,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a 2026-02-10T11:42:15,501 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 2026-02-10T11:42:15,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b 2026-02-10T11:42:15,505 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 2026-02-10T11:42:15,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10 2026-02-10T11:42:15,508 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 2026-02-10T11:42:15,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b 2026-02-10T11:42:15,512 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 2026-02-10T11:42:15,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a 2026-02-10T11:42:15,515 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 2026-02-10T11:42:15,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a 2026-02-10T11:42:15,518 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 2026-02-10T11:42:15,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a 2026-02-10T11:42:15,521 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 2026-02-10T11:42:15,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a 2026-02-10T11:42:15,525 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 2026-02-10T11:42:15,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a 2026-02-10T11:42:15,528 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 2026-02-10T11:42:15,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6 2026-02-10T11:42:15,532 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 2026-02-10T11:42:15,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b 2026-02-10T11:42:15,535 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 2026-02-10T11:42:15,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b 2026-02-10T11:42:15,538 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 2026-02-10T11:42:15,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b 2026-02-10T11:42:15,542 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 2026-02-10T11:42:15,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a 2026-02-10T11:42:15,545 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 2026-02-10T11:42:15,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a 2026-02-10T11:42:15,549 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 2026-02-10T11:42:15,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11 2026-02-10T11:42:15,553 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 2026-02-10T11:42:15,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5 2026-02-10T11:42:15,556 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 2026-02-10T11:42:15,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b 2026-02-10T11:42:15,559 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 2026-02-10T11:42:15,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15 2026-02-10T11:42:15,563 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 2026-02-10T11:42:15,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a 2026-02-10T11:42:15,566 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 2026-02-10T11:42:15,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17 2026-02-10T11:42:15,570 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 2026-02-10T11:42:15,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a 2026-02-10T11:42:15,573 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 2026-02-10T11:42:15,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21 2026-02-10T11:42:15,577 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 2026-02-10T11:42:15,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a 2026-02-10T11:42:15,580 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 2026-02-10T11:42:15,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a 2026-02-10T11:42:15,583 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 2026-02-10T11:42:15,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b 2026-02-10T11:42:15,587 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 2026-02-10T11:42:15,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b 2026-02-10T11:42:15,590 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 2026-02-10T11:42:15,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2 2026-02-10T11:42:15,594 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 2026-02-10T11:42:15,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14 2026-02-10T11:42:15,597 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 2026-02-10T11:42:15,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b 2026-02-10T11:42:15,601 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 2026-02-10T11:42:15,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19 2026-02-10T11:42:15,604 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 2026-02-10T11:42:15,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a 2026-02-10T11:42:15,608 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 2026-02-10T11:42:15,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a 2026-02-10T11:42:15,611 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 2026-02-10T11:42:15,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8 2026-02-10T11:42:15,615 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 2026-02-10T11:42:15,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11 2026-02-10T11:42:15,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic 2026-02-10T11:42:15,622 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 2026-02-10T11:42:15,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of 2026-02-10T11:42:15,625 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 2026-02-10T11:42:15,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo 2026-02-10T11:42:15,629 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 2026-02-10T11:42:15,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4 2026-02-10T11:42:15,632 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 2026-02-10T11:42:15,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh 2026-02-10T11:42:15,636 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 2026-02-10T11:42:15,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc 2026-02-10T11:42:15,639 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 2026-02-10T11:42:15,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh 2026-02-10T11:42:15,643 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 2026-02-10T11:42:15,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic 2026-02-10T11:42:15,646 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 2026-02-10T11:42:15,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal 2026-02-10T11:42:15,650 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 2026-02-10T11:42:15,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof 2026-02-10T11:42:15,653 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 2026-02-10T11:42:15,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono 2026-02-10T11:42:15,656 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 2026-02-10T11:42:15,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene 2026-02-10T11:42:15,660 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 2026-02-10T11:42:15,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:42:15,663 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 2026-02-10T11:42:15,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:42:15,667 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 2026-02-10T11:42:15,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2 2026-02-10T11:42:15,670 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 2026-02-10T11:42:15,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh 2026-02-10T11:42:15,674 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 2026-02-10T11:42:15,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf 2026-02-10T11:42:15,678 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 2026-02-10T11:42:15,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2 2026-02-10T11:42:15,681 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 2026-02-10T11:42:15,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2 2026-02-10T11:42:15,685 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 2026-02-10T11:42:15,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof 2026-02-10T11:42:15,688 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 2026-02-10T11:42:15,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf 2026-02-10T11:42:15,691 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 2026-02-10T11:42:15,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s 2026-02-10T11:42:15,695 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 2026-02-10T11:42:15,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf 2026-02-10T11:42:15,698 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 2026-02-10T11:42:15,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co 2026-02-10T11:42:15,701 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 2026-02-10T11:42:15,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3 2026-02-10T11:42:15,705 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 2026-02-10T11:42:15,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3 2026-02-10T11:42:15,709 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 2026-02-10T11:42:15,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn 2026-02-10T11:42:15,712 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 2026-02-10T11:42:15,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol 2026-02-10T11:42:15,716 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 2026-02-10T11:42:15,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh 2026-02-10T11:42:15,720 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 2026-02-10T11:42:15,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2 2026-02-10T11:42:15,723 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 2026-02-10T11:42:15,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol 2026-02-10T11:42:15,727 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 2026-02-10T11:42:15,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2 2026-02-10T11:42:15,731 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 2026-02-10T11:42:15,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f 2026-02-10T11:42:15,734 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 2026-02-10T11:42:15,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6 2026-02-10T11:42:15,738 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 2026-02-10T11:42:15,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4 2026-02-10T11:42:15,741 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 2026-02-10T11:42:15,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs 2026-02-10T11:42:15,744 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 2026-02-10T11:42:15,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn 2026-02-10T11:42:15,748 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 2026-02-10T11:42:15,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3 2026-02-10T11:42:15,751 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 2026-02-10T11:42:15,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b 2026-02-10T11:42:15,755 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 2026-02-10T11:42:15,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2 2026-02-10T11:42:15,758 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 2026-02-10T11:42:15,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2 2026-02-10T11:42:15,761 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 2026-02-10T11:42:15,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl 2026-02-10T11:42:15,765 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 2026-02-10T11:42:15,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh 2026-02-10T11:42:15,768 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 2026-02-10T11:42:15,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:42:15,772 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 2026-02-10T11:42:15,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o 2026-02-10T11:42:15,775 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 2026-02-10T11:42:15,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4 2026-02-10T11:42:15,779 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 2026-02-10T11:42:15,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:42:15,782 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 2026-02-10T11:42:15,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6 2026-02-10T11:42:15,785 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 2026-02-10T11:42:15,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno 2026-02-10T11:42:15,789 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 2026-02-10T11:42:15,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2 2026-02-10T11:42:15,792 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 2026-02-10T11:42:15,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo 2026-02-10T11:42:15,796 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 2026-02-10T11:42:15,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn 2026-02-10T11:42:15,799 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 2026-02-10T11:42:15,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne 2026-02-10T11:42:15,803 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 2026-02-10T11:42:15,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2 2026-02-10T11:42:15,806 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 2026-02-10T11:42:15,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o 2026-02-10T11:42:15,810 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 2026-02-10T11:42:15,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:42:15,813 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 2026-02-10T11:42:15,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf 2026-02-10T11:42:15,817 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 2026-02-10T11:42:15,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4 2026-02-10T11:42:15,821 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 2026-02-10T11:42:15,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be 2026-02-10T11:42:15,825 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 2026-02-10T11:42:15,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf 2026-02-10T11:42:15,829 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 2026-02-10T11:42:15,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o 2026-02-10T11:42:15,836 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 2026-02-10T11:42:15,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4 2026-02-10T11:42:15,848 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 2026-02-10T11:42:15,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf 2026-02-10T11:42:15,863 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 2026-02-10T11:42:15,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3 2026-02-10T11:42:15,867 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 2026-02-10T11:42:15,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h 2026-02-10T11:42:15,871 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 2026-02-10T11:42:15,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo 2026-02-10T11:42:15,874 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 2026-02-10T11:42:15,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl 2026-02-10T11:42:15,878 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 2026-02-10T11:42:15,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6 2026-02-10T11:42:15,881 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 2026-02-10T11:42:15,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2 2026-02-10T11:42:15,885 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 2026-02-10T11:42:15,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo 2026-02-10T11:42:15,889 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 2026-02-10T11:42:15,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane 2026-02-10T11:42:15,892 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 2026-02-10T11:42:15,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco 2026-02-10T11:42:15,896 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 2026-02-10T11:42:15,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si 2026-02-10T11:42:15,899 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 2026-02-10T11:42:15,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n 2026-02-10T11:42:15,902 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 2026-02-10T11:42:15,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h 2026-02-10T11:42:15,906 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 2026-02-10T11:42:15,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane 2026-02-10T11:42:15,909 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 2026-02-10T11:42:15,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2 2026-02-10T11:42:15,913 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 2026-02-10T11:42:15,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene 2026-02-10T11:42:15,916 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 2026-02-10T11:42:15,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl 2026-02-10T11:42:15,919 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 2026-02-10T11:42:15,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2 2026-02-10T11:42:15,923 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 2026-02-10T11:42:15,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f 2026-02-10T11:42:15,926 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 2026-02-10T11:42:15,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3 2026-02-10T11:42:15,929 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 2026-02-10T11:42:15,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2 2026-02-10T11:42:15,932 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 2026-02-10T11:42:15,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o 2026-02-10T11:42:15,936 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 2026-02-10T11:42:15,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3 2026-02-10T11:42:15,939 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 2026-02-10T11:42:15,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s 2026-02-10T11:42:15,943 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 2026-02-10T11:42:15,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o 2026-02-10T11:42:15,946 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 2026-02-10T11:42:15,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3 2026-02-10T11:42:15,950 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 2026-02-10T11:42:15,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4 2026-02-10T11:42:15,953 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 2026-02-10T11:42:15,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3 2026-02-10T11:42:15,957 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 2026-02-10T11:42:15,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih 2026-02-10T11:42:15,960 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 2026-02-10T11:42:15,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof 2026-02-10T11:42:15,964 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 2026-02-10T11:42:15,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f 2026-02-10T11:42:15,967 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 2026-02-10T11:42:15,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno 2026-02-10T11:42:15,971 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 2026-02-10T11:42:15,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no 2026-02-10T11:42:15,974 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 2026-02-10T11:42:15,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c 2026-02-10T11:42:15,978 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 2026-02-10T11:42:15,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh 2026-02-10T11:42:15,981 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 2026-02-10T11:42:15,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co 2026-02-10T11:42:15,985 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 2026-02-10T11:42:15,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene 2026-02-10T11:42:15,988 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 2026-02-10T11:42:15,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn 2026-02-10T11:42:15,991 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 2026-02-10T11:42:15,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs 2026-02-10T11:42:15,995 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 2026-02-10T11:42:15,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p 2026-02-10T11:42:15,998 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 2026-02-10T11:42:16,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:42:16,002 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 2026-02-10T11:42:16,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch 2026-02-10T11:42:16,005 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 2026-02-10T11:42:16,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3 2026-02-10T11:42:16,009 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 2026-02-10T11:42:16,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh 2026-02-10T11:42:16,012 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 2026-02-10T11:42:16,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2 2026-02-10T11:42:16,016 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 2026-02-10T11:42:16,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2 2026-02-10T11:42:16,019 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 2026-02-10T11:42:16,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f 2026-02-10T11:42:16,022 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 2026-02-10T11:42:16,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2 2026-02-10T11:42:16,026 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 2026-02-10T11:42:16,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs 2026-02-10T11:42:16,029 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 2026-02-10T11:42:16,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi 2026-02-10T11:42:16,032 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 2026-02-10T11:42:16,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl 2026-02-10T11:42:16,036 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 2026-02-10T11:42:16,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2 2026-02-10T11:42:16,039 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 2026-02-10T11:42:16,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene 2026-02-10T11:42:16,043 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 2026-02-10T11:42:16,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo 2026-02-10T11:42:16,046 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 2026-02-10T11:42:16,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2 2026-02-10T11:42:16,051 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 2026-02-10T11:42:16,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf 2026-02-10T11:42:16,054 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 2026-02-10T11:42:16,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so 2026-02-10T11:42:16,058 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 2026-02-10T11:42:16,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch 2026-02-10T11:42:16,061 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 2026-02-10T11:42:16,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2 2026-02-10T11:42:16,065 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 2026-02-10T11:42:16,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane 2026-02-10T11:42:16,068 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 2026-02-10T11:42:16,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o 2026-02-10T11:42:16,071 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 2026-02-10T11:42:16,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc 2026-02-10T11:42:16,075 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 2026-02-10T11:42:16,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:42:16,079 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 2026-02-10T11:42:16,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3 2026-02-10T11:42:16,082 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 2026-02-10T11:42:16,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c 2026-02-10T11:42:16,086 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 2026-02-10T11:42:16,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2 2026-02-10T11:42:16,089 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 2026-02-10T11:42:16,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco 2026-02-10T11:42:16,093 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 2026-02-10T11:42:16,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2 2026-02-10T11:42:16,096 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 2026-02-10T11:42:16,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn 2026-02-10T11:42:16,100 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 2026-02-10T11:42:16,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:42:16,103 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 2026-02-10T11:42:16,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f 2026-02-10T11:42:16,107 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 2026-02-10T11:42:16,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn 2026-02-10T11:42:16,110 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 2026-02-10T11:42:16,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co 2026-02-10T11:42:16,113 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 2026-02-10T11:42:16,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:42:16,117 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 2026-02-10T11:42:16,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif 2026-02-10T11:42:16,120 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 2026-02-10T11:42:16,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4 2026-02-10T11:42:16,123 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 2026-02-10T11:42:16,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3 2026-02-10T11:42:16,127 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 2026-02-10T11:42:16,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2 2026-02-10T11:42:16,130 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 2026-02-10T11:42:16,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al 2026-02-10T11:42:16,134 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 2026-02-10T11:42:16,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh 2026-02-10T11:42:16,137 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 2026-02-10T11:42:16,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono 2026-02-10T11:42:16,140 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 2026-02-10T11:42:16,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn 2026-02-10T11:42:16,144 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 2026-02-10T11:42:16,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo 2026-02-10T11:42:16,147 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 2026-02-10T11:42:16,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio 2026-02-10T11:42:16,151 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 2026-02-10T11:42:16,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh 2026-02-10T11:42:16,154 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 2026-02-10T11:42:16,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:42:16,157 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 2026-02-10T11:42:16,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch 2026-02-10T11:42:16,161 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 2026-02-10T11:42:16,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl 2026-02-10T11:42:16,164 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 2026-02-10T11:42:16,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn 2026-02-10T11:42:16,168 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 2026-02-10T11:42:16,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2 2026-02-10T11:42:16,171 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 2026-02-10T11:42:16,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43 2026-02-10T11:42:16,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07 2026-02-10T11:42:16,177 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 2026-02-10T11:42:16,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36 2026-02-10T11:42:16,182 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 2026-02-10T11:42:16,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02 2026-02-10T11:42:16,185 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 2026-02-10T11:42:16,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12 2026-02-10T11:42:16,189 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 2026-02-10T11:42:16,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27 2026-02-10T11:42:16,193 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 2026-02-10T11:42:16,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18 2026-02-10T11:42:16,196 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 2026-02-10T11:42:16,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34 2026-02-10T11:42:16,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34 2026-02-10T11:42:16,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13 2026-02-10T11:42:16,203 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 2026-02-10T11:42:16,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38 2026-02-10T11:42:16,207 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38 2026-02-10T11:42:16,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2 2026-02-10T11:42:16,211 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 2026-02-10T11:42:16,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH 2026-02-10T11:42:16,214 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 2026-02-10T11:42:16,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2 2026-02-10T11:42:16,218 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 2026-02-10T11:42:16,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05 2026-02-10T11:42:16,221 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 2026-02-10T11:42:16,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20 2026-02-10T11:42:16,225 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 2026-02-10T11:42:16,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01 2026-02-10T11:42:16,228 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 2026-02-10T11:42:16,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08 2026-02-10T11:42:16,232 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 2026-02-10T11:42:16,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41 2026-02-10T11:42:16,235 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 2026-02-10T11:42:16,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4 2026-02-10T11:42:16,239 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 2026-02-10T11:42:16,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2 2026-02-10T11:42:16,242 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 2026-02-10T11:42:16,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04 2026-02-10T11:42:16,246 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 2026-02-10T11:42:16,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16 2026-02-10T11:42:16,249 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 2026-02-10T11:42:16,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4 2026-02-10T11:42:16,253 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 2026-02-10T11:42:16,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2 2026-02-10T11:42:16,256 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 2026-02-10T11:42:16,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25 2026-02-10T11:42:16,260 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 2026-02-10T11:42:16,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30 2026-02-10T11:42:16,263 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 2026-02-10T11:42:16,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH 2026-02-10T11:42:16,267 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 2026-02-10T11:42:16,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43 2026-02-10T11:42:16,270 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 2026-02-10T11:42:16,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2 2026-02-10T11:42:16,274 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 2026-02-10T11:42:16,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09 2026-02-10T11:42:16,277 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 2026-02-10T11:42:16,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37 2026-02-10T11:42:16,281 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 2026-02-10T11:42:16,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3 2026-02-10T11:42:16,284 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 2026-02-10T11:42:16,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22 2026-02-10T11:42:16,287 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 2026-02-10T11:42:16,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23 2026-02-10T11:42:16,291 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 2026-02-10T11:42:16,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2 2026-02-10T11:42:16,294 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 2026-02-10T11:42:16,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10 2026-02-10T11:42:16,298 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 2026-02-10T11:42:16,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06 2026-02-10T11:42:16,302 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 2026-02-10T11:42:16,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2 2026-02-10T11:42:16,305 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 2026-02-10T11:42:16,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28 2026-02-10T11:42:16,308 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 2026-02-10T11:42:16,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26 2026-02-10T11:42:16,312 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 2026-02-10T11:42:16,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40 2026-02-10T11:42:16,316 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 2026-02-10T11:42:16,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11 2026-02-10T11:42:16,320 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 2026-02-10T11:42:16,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32 2026-02-10T11:42:16,324 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 2026-02-10T11:42:16,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2 2026-02-10T11:42:16,327 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 2026-02-10T11:42:16,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24 2026-02-10T11:42:16,331 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 2026-02-10T11:42:16,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15 2026-02-10T11:42:16,334 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 2026-02-10T11:42:16,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03 2026-02-10T11:42:16,338 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 2026-02-10T11:42:16,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17 2026-02-10T11:42:16,341 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 2026-02-10T11:42:16,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21 2026-02-10T11:42:16,345 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 2026-02-10T11:42:16,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3 2026-02-10T11:42:16,348 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 2026-02-10T11:42:16,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42 2026-02-10T11:42:16,352 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 2026-02-10T11:42:16,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39 2026-02-10T11:42:16,355 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 2026-02-10T11:42:16,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35 2026-02-10T11:42:16,359 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 2026-02-10T11:42:16,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14 2026-02-10T11:42:16,362 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 2026-02-10T11:42:16,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19 2026-02-10T11:42:16,366 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 2026-02-10T11:42:16,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33 2026-02-10T11:42:16,369 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 2026-02-10T11:42:16,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2 2026-02-10T11:42:16,373 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 2026-02-10T11:42:16,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29 2026-02-10T11:42:16,376 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 2026-02-10T11:42:16,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31 2026-02-10T11:42:16,380 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 2026-02-10T11:42:16,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23 2026-02-10T11:42:16,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z 2026-02-10T11:42:16,386 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 2026-02-10T11:42:16,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b 2026-02-10T11:42:16,390 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 2026-02-10T11:42:16,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e 2026-02-10T11:42:16,394 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 2026-02-10T11:42:16,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d 2026-02-10T11:42:16,399 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 2026-02-10T11:42:16,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m 2026-02-10T11:42:16,402 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 2026-02-10T11:42:16,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b 2026-02-10T11:42:16,406 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 2026-02-10T11:42:16,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f 2026-02-10T11:42:16,410 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 2026-02-10T11:42:16,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a 2026-02-10T11:42:16,414 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 2026-02-10T11:42:16,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b 2026-02-10T11:42:16,417 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 2026-02-10T11:42:16,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b 2026-02-10T11:42:16,421 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 2026-02-10T11:42:16,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h 2026-02-10T11:42:16,424 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 2026-02-10T11:42:16,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g 2026-02-10T11:42:16,428 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 2026-02-10T11:42:16,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p 2026-02-10T11:42:16,431 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 2026-02-10T11:42:16,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p 2026-02-10T11:42:16,435 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 2026-02-10T11:42:16,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a 2026-02-10T11:42:16,438 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 2026-02-10T11:42:16,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p 2026-02-10T11:42:16,442 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 2026-02-10T11:42:16,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d 2026-02-10T11:42:16,446 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 2026-02-10T11:42:16,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a 2026-02-10T11:42:16,449 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 2026-02-10T11:42:16,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a 2026-02-10T11:42:16,453 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 2026-02-10T11:42:16,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c 2026-02-10T11:42:16,457 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 2026-02-10T11:42:16,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p 2026-02-10T11:42:16,460 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 2026-02-10T11:42:16,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa 2026-02-10T11:42:16,464 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 2026-02-10T11:42:16,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a 2026-02-10T11:42:16,467 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 2026-02-10T11:42:16,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a 2026-02-10T11:42:16,471 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 2026-02-10T11:42:16,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27 2026-02-10T11:42:16,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:42:16,476 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 2026-02-10T11:42:16,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:42:16,480 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 2026-02-10T11:42:16,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:42:16,483 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 2026-02-10T11:42:16,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:42:16,487 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 2026-02-10T11:42:16,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:42:16,490 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 2026-02-10T11:42:16,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:42:16,494 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 2026-02-10T11:42:16,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:42:16,497 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 2026-02-10T11:42:16,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:42:16,501 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 2026-02-10T11:42:16,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:42:16,504 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 2026-02-10T11:42:16,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:42:16,507 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 2026-02-10T11:42:16,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:42:16,511 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 2026-02-10T11:42:16,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2 2026-02-10T11:42:16,514 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 2026-02-10T11:42:16,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:42:16,518 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 2026-02-10T11:42:16,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:42:16,521 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 2026-02-10T11:42:16,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:42:16,525 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 2026-02-10T11:42:16,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:42:16,528 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 2026-02-10T11:42:16,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:42:16,532 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 2026-02-10T11:42:16,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:42:16,536 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 2026-02-10T11:42:16,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:42:16,540 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 2026-02-10T11:42:16,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:42:16,543 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 2026-02-10T11:42:16,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:42:16,547 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 2026-02-10T11:42:16,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:42:16,550 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 2026-02-10T11:42:16,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:42:16,554 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 2026-02-10T11:42:16,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:42:16,557 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 2026-02-10T11:42:16,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2 2026-02-10T11:42:16,561 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 2026-02-10T11:42:16,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:42:16,564 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 2026-02-10T11:42:16,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:42:16,567 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 2026-02-10T11:42:16,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:42:16,571 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 2026-02-10T11:42:16,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:42:16,574 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 2026-02-10T11:42:16,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:42:16,578 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 2026-02-10T11:42:16,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:42:16,582 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 2026-02-10T11:42:16,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:42:16,585 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 2026-02-10T11:42:16,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:42:16,589 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 2026-02-10T11:42:16,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:42:16,592 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 2026-02-10T11:42:16,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:42:16,595 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 2026-02-10T11:42:16,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:42:16,599 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 2026-02-10T11:42:16,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:42:16,602 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 2026-02-10T11:42:16,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:42:16,605 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 2026-02-10T11:42:16,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:42:16,609 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 2026-02-10T11:42:16,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:42:16,612 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 2026-02-10T11:42:16,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15 2026-02-10T11:42:16,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b 2026-02-10T11:42:16,618 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 2026-02-10T11:42:16,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b 2026-02-10T11:42:16,621 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 2026-02-10T11:42:16,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c 2026-02-10T11:42:16,625 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 2026-02-10T11:42:16,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a 2026-02-10T11:42:16,628 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 2026-02-10T11:42:16,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b 2026-02-10T11:42:16,631 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 2026-02-10T11:42:16,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c 2026-02-10T11:42:16,635 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 2026-02-10T11:42:16,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b 2026-02-10T11:42:16,638 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 2026-02-10T11:42:16,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c 2026-02-10T11:42:16,642 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 2026-02-10T11:42:16,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a 2026-02-10T11:42:16,645 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 2026-02-10T11:42:16,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d 2026-02-10T11:42:16,649 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 2026-02-10T11:42:16,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a 2026-02-10T11:42:16,652 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 2026-02-10T11:42:16,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b 2026-02-10T11:42:16,656 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 2026-02-10T11:42:16,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b 2026-02-10T11:42:16,659 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 2026-02-10T11:42:16,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d 2026-02-10T11:42:16,663 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 2026-02-10T11:42:16,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a 2026-02-10T11:42:16,666 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 2026-02-10T11:42:16,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a 2026-02-10T11:42:16,670 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 2026-02-10T11:42:16,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b 2026-02-10T11:42:16,673 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 2026-02-10T11:42:16,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a 2026-02-10T11:42:16,676 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 2026-02-10T11:42:16,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b 2026-02-10T11:42:16,680 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 2026-02-10T11:42:16,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a 2026-02-10T11:42:16,683 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 2026-02-10T11:42:16,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a 2026-02-10T11:42:16,687 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 2026-02-10T11:42:16,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b 2026-02-10T11:42:16,691 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 2026-02-10T11:42:16,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b 2026-02-10T11:42:16,694 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 2026-02-10T11:42:16,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a 2026-02-10T11:42:16,698 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 2026-02-10T11:42:16,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a 2026-02-10T11:42:16,701 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 2026-02-10T11:42:16,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL 2026-02-10T11:42:16,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:42:16,707 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 2026-02-10T11:42:16,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:42:16,711 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 2026-02-10T11:42:16,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:42:16,714 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 2026-02-10T11:42:16,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:42:16,717 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 2026-02-10T11:42:16,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:42:16,721 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 2026-02-10T11:42:16,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:42:16,724 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 2026-02-10T11:42:16,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:42:16,728 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 2026-02-10T11:42:16,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:42:16,731 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 2026-02-10T11:42:16,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:42:16,735 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 2026-02-10T11:42:16,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:42:16,738 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 2026-02-10T11:42:16,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:42:16,742 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 2026-02-10T11:42:16,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:42:16,745 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 2026-02-10T11:42:16,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:42:16,749 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 2026-02-10T11:42:16,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:42:16,752 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 2026-02-10T11:42:16,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:42:16,756 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 2026-02-10T11:42:16,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:42:16,759 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 2026-02-10T11:42:16,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:42:16,762 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 2026-02-10T11:42:16,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:42:16,766 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 2026-02-10T11:42:16,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:42:16,769 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 2026-02-10T11:42:16,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:42:16,773 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 2026-02-10T11:42:16,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:42:16,776 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 2026-02-10T11:42:16,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:42:16,780 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 2026-02-10T11:42:16,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:42:16,783 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 2026-02-10T11:42:16,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:42:16,787 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 2026-02-10T11:42:16,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:42:16,790 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 2026-02-10T11:42:16,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:42:16,793 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 2026-02-10T11:42:16,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:42:16,797 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 2026-02-10T11:42:16,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:42:16,800 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 2026-02-10T11:42:16,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:42:16,803 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 2026-02-10T11:42:16,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:42:16,807 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 2026-02-10T11:42:16,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:42:16,810 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 2026-02-10T11:42:16,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:42:16,814 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 2026-02-10T11:42:16,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:42:16,817 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 2026-02-10T11:42:16,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:42:16,821 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 2026-02-10T11:42:16,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:42:16,825 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 2026-02-10T11:42:16,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:42:16,828 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 2026-02-10T11:42:16,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:42:16,832 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 2026-02-10T11:42:16,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:42:16,836 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 2026-02-10T11:42:16,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:42:16,840 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 2026-02-10T11:42:16,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:42:16,843 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 2026-02-10T11:42:16,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:42:16,846 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 2026-02-10T11:42:16,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:42:16,850 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 2026-02-10T11:42:16,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:42:16,853 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 2026-02-10T11:42:16,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:42:16,857 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 2026-02-10T11:42:16,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:42:16,860 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 2026-02-10T11:42:16,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:42:16,864 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 2026-02-10T11:42:16,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:42:16,867 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 2026-02-10T11:42:16,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:42:16,871 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 2026-02-10T11:42:16,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:42:16,875 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 2026-02-10T11:42:16,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:42:16,879 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 2026-02-10T11:42:16,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:42:16,882 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 2026-02-10T11:42:16,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:42:16,885 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 2026-02-10T11:42:16,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:42:16,889 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 2026-02-10T11:42:16,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:42:16,892 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 2026-02-10T11:42:16,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:42:16,896 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 2026-02-10T11:42:16,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:42:16,899 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 2026-02-10T11:42:16,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:42:16,903 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 2026-02-10T11:42:16,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:42:16,907 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 2026-02-10T11:42:16,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:42:16,911 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 2026-02-10T11:42:16,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:42:16,915 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 2026-02-10T11:42:16,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:42:16,919 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 2026-02-10T11:42:16,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:42:16,922 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 2026-02-10T11:42:16,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:42:16,926 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 2026-02-10T11:42:16,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:42:16,929 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 2026-02-10T11:42:16,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:42:16,933 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 2026-02-10T11:42:16,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC 2026-02-10T11:42:16,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:42:16,938 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 2026-02-10T11:42:16,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3 2026-02-10T11:42:16,941 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 2026-02-10T11:42:16,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3 2026-02-10T11:42:16,945 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 2026-02-10T11:42:16,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:42:16,948 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 2026-02-10T11:42:16,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:42:16,952 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 2026-02-10T11:42:16,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3 2026-02-10T11:42:16,955 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 2026-02-10T11:42:16,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:42:16,958 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 2026-02-10T11:42:16,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3 2026-02-10T11:42:16,962 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 2026-02-10T11:42:16,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:42:16,966 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 2026-02-10T11:42:16,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:42:16,969 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 2026-02-10T11:42:16,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut 2026-02-10T11:42:16,972 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 2026-02-10T11:42:16,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F 2026-02-10T11:42:16,976 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 2026-02-10T11:42:16,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H 2026-02-10T11:42:16,979 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 2026-02-10T11:42:16,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2 2026-02-10T11:42:16,982 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 2026-02-10T11:42:16,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3 2026-02-10T11:42:16,986 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 2026-02-10T11:42:16,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3 2026-02-10T11:42:16,989 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 2026-02-10T11:42:16,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3 2026-02-10T11:42:16,993 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 2026-02-10T11:42:16,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz 2026-02-10T11:42:16,996 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 2026-02-10T11:42:16,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:42:17,000 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 2026-02-10T11:42:17,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch 2026-02-10T11:42:17,003 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 2026-02-10T11:42:17,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2 2026-02-10T11:42:17,007 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 2026-02-10T11:42:17,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21 2026-02-10T11:42:17,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1 2026-02-10T11:42:17,012 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 2026-02-10T11:42:17,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3 2026-02-10T11:42:17,016 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 2026-02-10T11:42:17,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2 2026-02-10T11:42:17,019 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 2026-02-10T11:42:17,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2 2026-02-10T11:42:17,022 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 2026-02-10T11:42:17,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e 2026-02-10T11:42:17,026 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 2026-02-10T11:42:17,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e 2026-02-10T11:42:17,029 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 2026-02-10T11:42:17,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3 2026-02-10T11:42:17,033 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 2026-02-10T11:42:17,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3 2026-02-10T11:42:17,036 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 2026-02-10T11:42:17,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e 2026-02-10T11:42:17,040 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 2026-02-10T11:42:17,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1 2026-02-10T11:42:17,043 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 2026-02-10T11:42:17,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1 2026-02-10T11:42:17,047 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 2026-02-10T11:42:17,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2 2026-02-10T11:42:17,050 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 2026-02-10T11:42:17,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3 2026-02-10T11:42:17,054 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 2026-02-10T11:42:17,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e 2026-02-10T11:42:17,057 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 2026-02-10T11:42:17,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5 2026-02-10T11:42:17,060 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 2026-02-10T11:42:17,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int 2026-02-10T11:42:17,064 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 2026-02-10T11:42:17,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1 2026-02-10T11:42:17,067 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 2026-02-10T11:42:17,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p 2026-02-10T11:42:17,071 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 2026-02-10T11:42:17,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr 2026-02-10T11:42:17,074 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 2026-02-10T11:42:17,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1 2026-02-10T11:42:17,077 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 2026-02-10T11:42:17,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2 2026-02-10T11:42:17,081 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 2026-02-10T11:42:17,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p 2026-02-10T11:42:17,084 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 2026-02-10T11:42:17,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me 2026-02-10T11:42:17,088 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 2026-02-10T11:42:17,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene 2026-02-10T11:42:17,091 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 2026-02-10T11:42:17,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2 2026-02-10T11:42:17,095 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 2026-02-10T11:42:17,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6 2026-02-10T11:42:17,098 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 2026-02-10T11:42:17,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e 2026-02-10T11:42:17,101 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 2026-02-10T11:42:17,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e 2026-02-10T11:42:17,105 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 2026-02-10T11:42:17,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4 2026-02-10T11:42:17,108 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 2026-02-10T11:42:17,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3 2026-02-10T11:42:17,112 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 2026-02-10T11:42:17,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1 2026-02-10T11:42:17,115 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 2026-02-10T11:42:17,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1 2026-02-10T11:42:17,119 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 2026-02-10T11:42:17,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3 2026-02-10T11:42:17,122 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 2026-02-10T11:42:17,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e 2026-02-10T11:42:17,126 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 2026-02-10T11:42:17,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2 2026-02-10T11:42:17,129 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 2026-02-10T11:42:17,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1 2026-02-10T11:42:17,133 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 2026-02-10T11:42:17,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e 2026-02-10T11:42:17,136 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 2026-02-10T11:42:17,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2 2026-02-10T11:42:17,140 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 2026-02-10T11:42:17,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1 2026-02-10T11:42:17,144 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 2026-02-10T11:42:17,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e 2026-02-10T11:42:17,147 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 2026-02-10T11:42:17,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e 2026-02-10T11:42:17,151 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 2026-02-10T11:42:17,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20 2026-02-10T11:42:17,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25 2026-02-10T11:42:17,157 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 2026-02-10T11:42:17,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52 2026-02-10T11:42:17,160 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 2026-02-10T11:42:17,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45 2026-02-10T11:42:17,163 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 2026-02-10T11:42:17,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45 2026-02-10T11:42:17,167 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 2026-02-10T11:42:17,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51 2026-02-10T11:42:17,170 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 2026-02-10T11:42:17,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40 2026-02-10T11:42:17,174 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 2026-02-10T11:42:17,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44 2026-02-10T11:42:17,178 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 2026-02-10T11:42:17,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60 2026-02-10T11:42:17,181 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 2026-02-10T11:42:17,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60 2026-02-10T11:42:17,185 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 2026-02-10T11:42:17,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56 2026-02-10T11:42:17,188 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 2026-02-10T11:42:17,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43 2026-02-10T11:42:17,191 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 2026-02-10T11:42:17,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21 2026-02-10T11:42:17,195 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 2026-02-10T11:42:17,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44 2026-02-10T11:42:17,198 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 2026-02-10T11:42:17,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29 2026-02-10T11:42:17,201 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 2026-02-10T11:42:17,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26 2026-02-10T11:42:17,206 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 2026-02-10T11:42:17,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22 2026-02-10T11:42:17,210 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 2026-02-10T11:42:17,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57 2026-02-10T11:42:17,213 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 2026-02-10T11:42:17,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26 2026-02-10T11:42:17,216 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 2026-02-10T11:42:17,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20 2026-02-10T11:42:17,220 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 2026-02-10T11:42:17,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22 2026-02-10T11:42:17,223 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 2026-02-10T11:42:17,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43 2026-02-10T11:42:17,227 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 2026-02-10T11:42:17,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52 2026-02-10T11:42:17,230 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 2026-02-10T11:42:17,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47 2026-02-10T11:42:17,234 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 2026-02-10T11:42:17,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47 2026-02-10T11:42:17,237 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 2026-02-10T11:42:17,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28 2026-02-10T11:42:17,240 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 2026-02-10T11:42:17,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49 2026-02-10T11:42:17,244 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 2026-02-10T11:42:17,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48 2026-02-10T11:42:17,247 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 2026-02-10T11:42:17,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49 2026-02-10T11:42:17,251 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49 2026-02-10T11:42:17,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48 2026-02-10T11:42:17,254 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 2026-02-10T11:42:17,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20 2026-02-10T11:42:17,258 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 2026-02-10T11:42:17,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46 2026-02-10T11:42:17,261 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 2026-02-10T11:42:17,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51 2026-02-10T11:42:17,265 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 2026-02-10T11:42:17,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40 2026-02-10T11:42:17,268 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 2026-02-10T11:42:17,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46 2026-02-10T11:42:17,272 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 2026-02-10T11:42:17,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25 2026-02-10T11:42:17,275 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 2026-02-10T11:42:17,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56 2026-02-10T11:42:17,279 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 2026-02-10T11:42:17,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05 2026-02-10T11:42:17,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:42:17,286 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 2026-02-10T11:42:17,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1 2026-02-10T11:42:17,290 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 2026-02-10T11:42:17,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2 2026-02-10T11:42:17,294 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 2026-02-10T11:42:17,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1 2026-02-10T11:42:17,298 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 2026-02-10T11:42:17,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic 2026-02-10T11:42:17,302 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 2026-02-10T11:42:17,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64 2026-02-10T11:42:17,305 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 2026-02-10T11:42:17,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr 2026-02-10T11:42:17,309 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 2026-02-10T11:42:17,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr 2026-02-10T11:42:17,312 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 2026-02-10T11:42:17,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A 2026-02-10T11:42:17,316 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 2026-02-10T11:42:17,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo 2026-02-10T11:42:17,320 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 2026-02-10T11:42:17,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A 2026-02-10T11:42:17,323 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 2026-02-10T11:42:17,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh 2026-02-10T11:42:17,326 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 2026-02-10T11:42:17,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2 2026-02-10T11:42:17,330 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 2026-02-10T11:42:17,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc 2026-02-10T11:42:17,333 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 2026-02-10T11:42:17,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe 2026-02-10T11:42:17,337 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 2026-02-10T11:42:17,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4 2026-02-10T11:42:17,340 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 2026-02-10T11:42:17,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74 2026-02-10T11:42:17,344 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 2026-02-10T11:42:17,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:42:17,347 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+ 2026-02-10T11:42:17,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:42:17,350 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 2026-02-10T11:42:17,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:42:17,354 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 2026-02-10T11:42:17,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2 2026-02-10T11:42:17,357 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 2026-02-10T11:42:17,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he 2026-02-10T11:42:17,361 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 2026-02-10T11:42:17,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm 2026-02-10T11:42:17,364 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 2026-02-10T11:42:17,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s 2026-02-10T11:42:17,368 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 2026-02-10T11:42:17,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf 2026-02-10T11:42:17,371 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 2026-02-10T11:42:17,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3 2026-02-10T11:42:17,374 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 2026-02-10T11:42:17,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots 2026-02-10T11:42:17,378 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 2026-02-10T11:42:17,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+ 2026-02-10T11:42:17,381 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+ 2026-02-10T11:42:17,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21 2026-02-10T11:42:17,385 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 2026-02-10T11:42:17,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3 2026-02-10T11:42:17,388 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 2026-02-10T11:42:17,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:42:17,391 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 2026-02-10T11:42:17,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18 2026-02-10T11:42:17,395 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 2026-02-10T11:42:17,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20 2026-02-10T11:42:17,398 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 2026-02-10T11:42:17,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34 2026-02-10T11:42:17,402 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 2026-02-10T11:42:17,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13 2026-02-10T11:42:17,405 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 2026-02-10T11:42:17,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:42:17,408 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 2026-02-10T11:42:17,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:42:17,412 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 2026-02-10T11:42:17,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:42:17,415 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 2026-02-10T11:42:17,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b 2026-02-10T11:42:17,419 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 2026-02-10T11:42:17,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O 2026-02-10T11:42:17,422 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 2026-02-10T11:42:17,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2 2026-02-10T11:42:17,426 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 2026-02-10T11:42:17,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76 2026-02-10T11:42:17,429 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 2026-02-10T11:42:17,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A 2026-02-10T11:42:17,433 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 2026-02-10T11:42:17,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2 2026-02-10T11:42:17,436 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 2026-02-10T11:42:17,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+ 2026-02-10T11:42:17,440 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+ 2026-02-10T11:42:17,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:42:17,444 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 2026-02-10T11:42:17,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs 2026-02-10T11:42:17,447 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 2026-02-10T11:42:17,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B 2026-02-10T11:42:17,451 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 2026-02-10T11:42:17,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17 2026-02-10T11:42:17,454 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 2026-02-10T11:42:17,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48 2026-02-10T11:42:17,458 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 2026-02-10T11:42:17,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1 2026-02-10T11:42:17,461 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 2026-02-10T11:42:17,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p 2026-02-10T11:42:17,465 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 2026-02-10T11:42:17,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45 2026-02-10T11:42:17,468 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 2026-02-10T11:42:17,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH 2026-02-10T11:42:17,472 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 2026-02-10T11:42:17,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20 2026-02-10T11:42:17,475 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 2026-02-10T11:42:17,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o 2026-02-10T11:42:17,479 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 2026-02-10T11:42:17,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh 2026-02-10T11:42:17,482 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 2026-02-10T11:42:17,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be 2026-02-10T11:42:17,486 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 2026-02-10T11:42:17,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20 2026-02-10T11:42:17,489 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 2026-02-10T11:42:17,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3 2026-02-10T11:42:17,493 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 2026-02-10T11:42:17,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1 2026-02-10T11:42:17,496 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 2026-02-10T11:42:17,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S 2026-02-10T11:42:17,499 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 2026-02-10T11:42:17,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80 2026-02-10T11:42:17,503 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 2026-02-10T11:42:17,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf 2026-02-10T11:42:17,506 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 2026-02-10T11:42:17,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14 2026-02-10T11:42:17,509 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 2026-02-10T11:42:17,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59 2026-02-10T11:42:17,513 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 2026-02-10T11:42:17,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3 2026-02-10T11:42:17,516 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 2026-02-10T11:42:17,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02 2026-02-10T11:42:17,520 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 2026-02-10T11:42:17,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:42:17,523 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 2026-02-10T11:42:17,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A 2026-02-10T11:42:17,527 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 2026-02-10T11:42:17,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl 2026-02-10T11:42:17,531 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 2026-02-10T11:42:17,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73 2026-02-10T11:42:17,534 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 2026-02-10T11:42:17,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo 2026-02-10T11:42:17,538 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 2026-02-10T11:42:17,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco 2026-02-10T11:42:17,541 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 2026-02-10T11:42:17,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao 2026-02-10T11:42:17,545 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 2026-02-10T11:42:17,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B 2026-02-10T11:42:17,548 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 2026-02-10T11:42:17,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si 2026-02-10T11:42:17,551 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 2026-02-10T11:42:17,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A 2026-02-10T11:42:17,555 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 2026-02-10T11:42:17,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p 2026-02-10T11:42:17,558 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 2026-02-10T11:42:17,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:42:17,562 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 2026-02-10T11:42:17,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:42:17,565 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 2026-02-10T11:42:17,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h 2026-02-10T11:42:17,569 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 2026-02-10T11:42:17,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:42:17,572 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+ 2026-02-10T11:42:17,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca 2026-02-10T11:42:17,576 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 2026-02-10T11:42:17,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2 2026-02-10T11:42:17,579 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 2026-02-10T11:42:17,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4 2026-02-10T11:42:17,583 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 2026-02-10T11:42:17,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:42:17,586 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 2026-02-10T11:42:17,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2 2026-02-10T11:42:17,590 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 2026-02-10T11:42:17,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne 2026-02-10T11:42:17,593 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 2026-02-10T11:42:17,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A 2026-02-10T11:42:17,596 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 2026-02-10T11:42:17,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B 2026-02-10T11:42:17,600 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 2026-02-10T11:42:17,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25 2026-02-10T11:42:17,604 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 2026-02-10T11:42:17,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20 2026-02-10T11:42:17,607 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 2026-02-10T11:42:17,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s 2026-02-10T11:42:17,611 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 2026-02-10T11:42:17,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B 2026-02-10T11:42:17,614 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 2026-02-10T11:42:17,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4 2026-02-10T11:42:17,618 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 2026-02-10T11:42:17,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10 2026-02-10T11:42:17,621 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 2026-02-10T11:42:17,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:42:17,625 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 2026-02-10T11:42:17,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k 2026-02-10T11:42:17,628 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 2026-02-10T11:42:17,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg 2026-02-10T11:42:17,631 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 2026-02-10T11:42:17,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67 2026-02-10T11:42:17,635 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 2026-02-10T11:42:17,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:42:17,639 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 2026-02-10T11:42:17,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78 2026-02-10T11:42:17,642 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 2026-02-10T11:42:17,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43 2026-02-10T11:42:17,646 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 2026-02-10T11:42:17,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts 2026-02-10T11:42:17,649 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 2026-02-10T11:42:17,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A 2026-02-10T11:42:17,653 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 2026-02-10T11:42:17,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3 2026-02-10T11:42:17,656 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3 2026-02-10T11:42:17,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25 2026-02-10T11:42:17,660 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 2026-02-10T11:42:17,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:42:17,663 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 2026-02-10T11:42:17,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf 2026-02-10T11:42:17,667 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 2026-02-10T11:42:17,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2 2026-02-10T11:42:17,670 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 2026-02-10T11:42:17,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH 2026-02-10T11:42:17,673 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 2026-02-10T11:42:17,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a 2026-02-10T11:42:17,677 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 2026-02-10T11:42:17,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:42:17,680 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 2026-02-10T11:42:17,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B 2026-02-10T11:42:17,684 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 2026-02-10T11:42:17,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47 2026-02-10T11:42:17,687 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 2026-02-10T11:42:17,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4 2026-02-10T11:42:17,690 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 2026-02-10T11:42:17,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+ 2026-02-10T11:42:17,694 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+ 2026-02-10T11:42:17,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6 2026-02-10T11:42:17,697 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 2026-02-10T11:42:17,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B 2026-02-10T11:42:17,701 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 2026-02-10T11:42:17,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f 2026-02-10T11:42:17,705 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 2026-02-10T11:42:17,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:42:17,709 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 2026-02-10T11:42:17,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A 2026-02-10T11:42:17,712 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 2026-02-10T11:42:17,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s 2026-02-10T11:42:17,716 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 2026-02-10T11:42:17,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar 2026-02-10T11:42:17,719 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 2026-02-10T11:42:17,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2 2026-02-10T11:42:17,722 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 2026-02-10T11:42:17,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:42:17,726 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 2026-02-10T11:42:17,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s 2026-02-10T11:42:17,729 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 2026-02-10T11:42:17,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl 2026-02-10T11:42:17,732 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 2026-02-10T11:42:17,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40 2026-02-10T11:42:17,736 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 2026-02-10T11:42:17,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:42:17,740 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 2026-02-10T11:42:17,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b 2026-02-10T11:42:17,743 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 2026-02-10T11:42:17,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:42:17,747 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 2026-02-10T11:42:17,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12 2026-02-10T11:42:17,751 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 2026-02-10T11:42:17,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh 2026-02-10T11:42:17,754 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 2026-02-10T11:42:17,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B 2026-02-10T11:42:17,758 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 2026-02-10T11:42:17,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71 2026-02-10T11:42:17,761 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 2026-02-10T11:42:17,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5 2026-02-10T11:42:17,765 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 2026-02-10T11:42:17,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24 2026-02-10T11:42:17,769 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 2026-02-10T11:42:17,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2 2026-02-10T11:42:17,772 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 2026-02-10T11:42:17,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts 2026-02-10T11:42:17,776 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 2026-02-10T11:42:17,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2 2026-02-10T11:42:17,780 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2 2026-02-10T11:42:17,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:42:17,783 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 2026-02-10T11:42:17,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr 2026-02-10T11:42:17,787 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 2026-02-10T11:42:17,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c 2026-02-10T11:42:17,791 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 2026-02-10T11:42:17,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2 2026-02-10T11:42:17,794 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 2026-02-10T11:42:17,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f 2026-02-10T11:42:17,798 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 2026-02-10T11:42:17,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn 2026-02-10T11:42:17,802 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 2026-02-10T11:42:17,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:42:17,805 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 2026-02-10T11:42:17,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+ 2026-02-10T11:42:17,809 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+ 2026-02-10T11:42:17,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3 2026-02-10T11:42:17,813 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 2026-02-10T11:42:17,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2 2026-02-10T11:42:17,817 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 2026-02-10T11:42:17,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+ 2026-02-10T11:42:17,820 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+ 2026-02-10T11:42:17,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39 2026-02-10T11:42:17,824 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 2026-02-10T11:42:17,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4 2026-02-10T11:42:17,828 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 2026-02-10T11:42:17,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al 2026-02-10T11:42:17,831 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 2026-02-10T11:42:17,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:42:17,835 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 2026-02-10T11:42:17,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn 2026-02-10T11:42:17,839 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 2026-02-10T11:42:17,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68 2026-02-10T11:42:17,843 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 2026-02-10T11:42:17,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl 2026-02-10T11:42:17,846 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 2026-02-10T11:42:17,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58 2026-02-10T11:42:17,850 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 2026-02-10T11:42:17,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:42:17,854 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 2026-02-10T11:42:17,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:42:17,857 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- 2026-02-10T11:42:17,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:42:17,861 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 2026-02-10T11:42:17,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8 2026-02-10T11:42:17,864 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 2026-02-10T11:42:17,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:42:17,867 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 2026-02-10T11:42:17,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp 2026-02-10T11:42:17,871 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 2026-02-10T11:42:17,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2 2026-02-10T11:42:17,875 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 2026-02-10T11:42:17,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2 2026-02-10T11:42:17,878 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 2026-02-10T11:42:17,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:42:17,882 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 2026-02-10T11:42:17,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18 2026-02-10T11:42:17,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:42:17,887 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 2026-02-10T11:42:17,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:42:17,890 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 2026-02-10T11:42:17,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s 2026-02-10T11:42:17,894 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 2026-02-10T11:42:17,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3 2026-02-10T11:42:17,898 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 2026-02-10T11:42:17,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:42:17,901 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 2026-02-10T11:42:17,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s 2026-02-10T11:42:17,904 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 2026-02-10T11:42:17,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:42:17,908 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 2026-02-10T11:42:17,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3 2026-02-10T11:42:17,911 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 2026-02-10T11:42:17,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3 2026-02-10T11:42:17,915 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 2026-02-10T11:42:17,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:42:17,918 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 2026-02-10T11:42:17,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:42:17,922 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 2026-02-10T11:42:17,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:42:17,926 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 2026-02-10T11:42:17,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3 2026-02-10T11:42:17,929 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 2026-02-10T11:42:17,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:42:17,932 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 2026-02-10T11:42:17,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:42:17,936 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 2026-02-10T11:42:17,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:42:17,939 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 2026-02-10T11:42:17,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:42:17,943 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 2026-02-10T11:42:17,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:42:17,946 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 2026-02-10T11:42:17,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3 2026-02-10T11:42:17,950 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 2026-02-10T11:42:17,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3 2026-02-10T11:42:17,953 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 2026-02-10T11:42:17,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:42:17,957 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 2026-02-10T11:42:17,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:42:17,960 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 2026-02-10T11:42:17,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s 2026-02-10T11:42:17,964 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 2026-02-10T11:42:17,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:42:17,967 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 2026-02-10T11:42:17,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2 2026-02-10T11:42:17,970 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 2026-02-10T11:42:17,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:42:17,973 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 2026-02-10T11:42:17,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:42:17,977 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 2026-02-10T11:42:17,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:42:17,980 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 2026-02-10T11:42:17,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22 2026-02-10T11:42:17,984 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 2026-02-10T11:42:17,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF 2026-02-10T11:42:17,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX 2026-02-10T11:42:17,989 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 2026-02-10T11:42:17,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:42:17,992 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- 2026-02-10T11:42:17,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:42:17,996 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+ 2026-02-10T11:42:17,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:42:17,999 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- 2026-02-10T11:42:18,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg 2026-02-10T11:42:18,003 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 2026-02-10T11:42:18,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T 2026-02-10T11:42:18,006 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 2026-02-10T11:42:18,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt 2026-02-10T11:42:18,010 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 2026-02-10T11:42:18,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG 2026-02-10T11:42:18,013 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 2026-02-10T11:42:18,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:42:18,016 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+ 2026-02-10T11:42:18,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt 2026-02-10T11:42:18,020 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 2026-02-10T11:42:18,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:42:18,023 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- 2026-02-10T11:42:18,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg 2026-02-10T11:42:18,026 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 2026-02-10T11:42:18,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt 2026-02-10T11:42:18,030 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 2026-02-10T11:42:18,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G 2026-02-10T11:42:18,034 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 2026-02-10T11:42:18,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG 2026-02-10T11:42:18,037 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 2026-02-10T11:42:18,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg 2026-02-10T11:42:18,041 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 2026-02-10T11:42:18,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT 2026-02-10T11:42:18,044 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 2026-02-10T11:42:18,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:42:18,048 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- 2026-02-10T11:42:18,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36 2026-02-10T11:42:18,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1 2026-02-10T11:42:18,054 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 2026-02-10T11:42:18,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10 2026-02-10T11:42:18,057 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 2026-02-10T11:42:18,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5 2026-02-10T11:42:18,061 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 2026-02-10T11:42:18,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7 2026-02-10T11:42:18,065 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 2026-02-10T11:42:18,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6 2026-02-10T11:42:18,069 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 2026-02-10T11:42:18,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15 2026-02-10T11:42:18,073 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 2026-02-10T11:42:18,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6 2026-02-10T11:42:18,077 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 2026-02-10T11:42:18,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16 2026-02-10T11:42:18,081 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 2026-02-10T11:42:18,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5 2026-02-10T11:42:18,085 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 2026-02-10T11:42:18,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4 2026-02-10T11:42:18,089 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 2026-02-10T11:42:18,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2 2026-02-10T11:42:18,092 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 2026-02-10T11:42:18,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4 2026-02-10T11:42:18,096 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 2026-02-10T11:42:18,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7 2026-02-10T11:42:18,100 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 2026-02-10T11:42:18,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4 2026-02-10T11:42:18,103 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 2026-02-10T11:42:18,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8 2026-02-10T11:42:18,107 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 2026-02-10T11:42:18,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10 2026-02-10T11:42:18,111 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 2026-02-10T11:42:18,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11 2026-02-10T11:42:18,114 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 2026-02-10T11:42:18,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14 2026-02-10T11:42:18,118 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 2026-02-10T11:42:18,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9 2026-02-10T11:42:18,122 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 2026-02-10T11:42:18,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6 2026-02-10T11:42:18,126 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 2026-02-10T11:42:18,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3 2026-02-10T11:42:18,129 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 2026-02-10T11:42:18,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14 2026-02-10T11:42:18,133 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 2026-02-10T11:42:18,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15 2026-02-10T11:42:18,136 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 2026-02-10T11:42:18,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12 2026-02-10T11:42:18,140 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 2026-02-10T11:42:18,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13 2026-02-10T11:42:18,144 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 2026-02-10T11:42:18,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1 2026-02-10T11:42:18,147 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 2026-02-10T11:42:18,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3 2026-02-10T11:42:18,151 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 2026-02-10T11:42:18,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4 2026-02-10T11:42:18,154 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 2026-02-10T11:42:18,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11 2026-02-10T11:42:18,158 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 2026-02-10T11:42:18,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3 2026-02-10T11:42:18,161 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 2026-02-10T11:42:18,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1 2026-02-10T11:42:18,165 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 2026-02-10T11:42:18,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12 2026-02-10T11:42:18,168 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 2026-02-10T11:42:18,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5 2026-02-10T11:42:18,171 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 2026-02-10T11:42:18,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2 2026-02-10T11:42:18,175 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 2026-02-10T11:42:18,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8 2026-02-10T11:42:18,179 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 2026-02-10T11:42:18,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9 2026-02-10T11:42:18,182 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 2026-02-10T11:42:18,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13 2026-02-10T11:42:18,186 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 2026-02-10T11:42:18,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2 2026-02-10T11:42:18,189 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 2026-02-10T11:42:18,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10 2026-02-10T11:42:18,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2 2026-02-10T11:42:18,194 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 2026-02-10T11:42:18,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9 2026-02-10T11:42:18,198 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 2026-02-10T11:42:18,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6 2026-02-10T11:42:18,201 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 2026-02-10T11:42:18,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1 2026-02-10T11:42:18,205 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 2026-02-10T11:42:18,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2 2026-02-10T11:42:18,208 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 2026-02-10T11:42:18,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1 2026-02-10T11:42:18,212 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 2026-02-10T11:42:18,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7 2026-02-10T11:42:18,215 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 2026-02-10T11:42:18,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10 2026-02-10T11:42:18,219 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 2026-02-10T11:42:18,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5 2026-02-10T11:42:18,222 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 2026-02-10T11:42:18,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4 2026-02-10T11:42:18,226 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 2026-02-10T11:42:18,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10 2026-02-10T11:42:18,229 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 2026-02-10T11:42:18,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9 2026-02-10T11:42:18,233 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 2026-02-10T11:42:18,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3 2026-02-10T11:42:18,236 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 2026-02-10T11:42:18,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5 2026-02-10T11:42:18,240 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 2026-02-10T11:42:18,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4 2026-02-10T11:42:18,243 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 2026-02-10T11:42:18,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7 2026-02-10T11:42:18,246 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 2026-02-10T11:42:18,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8 2026-02-10T11:42:18,250 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 2026-02-10T11:42:18,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8 2026-02-10T11:42:18,253 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 2026-02-10T11:42:18,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6 2026-02-10T11:42:18,256 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 2026-02-10T11:42:18,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3 2026-02-10T11:42:18,260 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 2026-02-10T11:42:18,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC 2026-02-10T11:42:18,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:42:18,266 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 2026-02-10T11:42:18,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20 2026-02-10T11:42:18,269 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 2026-02-10T11:42:18,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8 2026-02-10T11:42:18,273 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 2026-02-10T11:42:18,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh 2026-02-10T11:42:18,277 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 2026-02-10T11:42:18,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc 2026-02-10T11:42:18,280 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 2026-02-10T11:42:18,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh- 2026-02-10T11:42:18,283 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- 2026-02-10T11:42:18,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19 2026-02-10T11:42:18,286 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 2026-02-10T11:42:18,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:42:18,290 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 2026-02-10T11:42:18,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:42:18,293 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 2026-02-10T11:42:18,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf 2026-02-10T11:42:18,296 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 2026-02-10T11:42:18,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co 2026-02-10T11:42:18,300 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 2026-02-10T11:42:18,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots 2026-02-10T11:42:18,303 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 2026-02-10T11:42:18,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:42:18,307 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 2026-02-10T11:42:18,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07 2026-02-10T11:42:18,310 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 2026-02-10T11:42:18,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:42:18,314 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 2026-02-10T11:42:18,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2 2026-02-10T11:42:18,317 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 2026-02-10T11:42:18,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:42:18,321 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 2026-02-10T11:42:18,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4 2026-02-10T11:42:18,325 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 2026-02-10T11:42:18,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f- 2026-02-10T11:42:18,328 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- 2026-02-10T11:42:18,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O 2026-02-10T11:42:18,331 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 2026-02-10T11:42:18,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2 2026-02-10T11:42:18,335 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 2026-02-10T11:42:18,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2 2026-02-10T11:42:18,338 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 2026-02-10T11:42:18,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3 2026-02-10T11:42:18,341 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 2026-02-10T11:42:18,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17 2026-02-10T11:42:18,345 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 2026-02-10T11:42:18,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22 2026-02-10T11:42:18,349 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 2026-02-10T11:42:18,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14 2026-02-10T11:42:18,355 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 2026-02-10T11:42:18,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13 2026-02-10T11:42:18,360 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 2026-02-10T11:42:18,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H 2026-02-10T11:42:18,363 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 2026-02-10T11:42:18,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:42:18,367 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 2026-02-10T11:42:18,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS 2026-02-10T11:42:18,370 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 2026-02-10T11:42:18,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl- 2026-02-10T11:42:18,374 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- 2026-02-10T11:42:18,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:42:18,378 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 2026-02-10T11:42:18,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S 2026-02-10T11:42:18,381 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 2026-02-10T11:42:18,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf 2026-02-10T11:42:18,384 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 2026-02-10T11:42:18,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04 2026-02-10T11:42:18,388 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 2026-02-10T11:42:18,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3 2026-02-10T11:42:18,391 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 2026-02-10T11:42:18,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02 2026-02-10T11:42:18,395 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 2026-02-10T11:42:18,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco 2026-02-10T11:42:18,398 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 2026-02-10T11:42:18,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16 2026-02-10T11:42:18,402 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 2026-02-10T11:42:18,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h 2026-02-10T11:42:18,405 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 2026-02-10T11:42:18,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18 2026-02-10T11:42:18,409 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 2026-02-10T11:42:18,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:42:18,412 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 2026-02-10T11:42:18,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6 2026-02-10T11:42:18,415 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 2026-02-10T11:42:18,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:42:18,419 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 2026-02-10T11:42:18,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4 2026-02-10T11:42:18,422 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 2026-02-10T11:42:18,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2 2026-02-10T11:42:18,426 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 2026-02-10T11:42:18,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11 2026-02-10T11:42:18,430 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 2026-02-10T11:42:18,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:42:18,434 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 2026-02-10T11:42:18,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:42:18,437 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 2026-02-10T11:42:18,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01 2026-02-10T11:42:18,441 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 2026-02-10T11:42:18,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10 2026-02-10T11:42:18,444 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 2026-02-10T11:42:18,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:42:18,448 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 2026-02-10T11:42:18,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:42:18,452 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 2026-02-10T11:42:18,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts 2026-02-10T11:42:18,456 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 2026-02-10T11:42:18,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2 2026-02-10T11:42:18,459 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 2026-02-10T11:42:18,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5 2026-02-10T11:42:18,462 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 2026-02-10T11:42:18,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12 2026-02-10T11:42:18,466 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 2026-02-10T11:42:18,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06 2026-02-10T11:42:18,469 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 2026-02-10T11:42:18,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:42:18,473 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 2026-02-10T11:42:18,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15 2026-02-10T11:42:18,477 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 2026-02-10T11:42:18,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7 2026-02-10T11:42:18,481 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 2026-02-10T11:42:18,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O 2026-02-10T11:42:18,484 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 2026-02-10T11:42:18,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08 2026-02-10T11:42:18,488 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 2026-02-10T11:42:18,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:42:18,491 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 2026-02-10T11:42:18,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05 2026-02-10T11:42:18,495 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 2026-02-10T11:42:18,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:42:18,499 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 2026-02-10T11:42:18,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f 2026-02-10T11:42:18,502 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 2026-02-10T11:42:18,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl 2026-02-10T11:42:18,506 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 2026-02-10T11:42:18,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2 2026-02-10T11:42:18,509 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 2026-02-10T11:42:18,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts 2026-02-10T11:42:18,513 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 2026-02-10T11:42:18,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:42:18,516 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 2026-02-10T11:42:18,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03 2026-02-10T11:42:18,520 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 2026-02-10T11:42:18,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:42:18,523 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 2026-02-10T11:42:18,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:42:18,527 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 2026-02-10T11:42:18,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts 2026-02-10T11:42:18,530 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 2026-02-10T11:42:18,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2 2026-02-10T11:42:18,534 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 2026-02-10T11:42:18,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o 2026-02-10T11:42:18,537 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 2026-02-10T11:42:18,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:42:18,541 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 2026-02-10T11:42:18,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f 2026-02-10T11:42:18,544 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 2026-02-10T11:42:18,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3 2026-02-10T11:42:18,549 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 2026-02-10T11:42:18,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21 2026-02-10T11:42:18,554 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 2026-02-10T11:42:18,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn 2026-02-10T11:42:18,558 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 2026-02-10T11:42:18,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl 2026-02-10T11:42:18,561 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 2026-02-10T11:42:18,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5 2026-02-10T11:42:18,565 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 2026-02-10T11:42:18,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH 2026-02-10T11:42:18,568 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 2026-02-10T11:42:18,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09 2026-02-10T11:42:18,572 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 2026-02-10T11:42:18,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel 2026-02-10T11:42:18,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3 2026-02-10T11:42:18,577 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 2026-02-10T11:42:18,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42 2026-02-10T11:42:18,581 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 2026-02-10T11:42:18,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71 2026-02-10T11:42:18,585 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 2026-02-10T11:42:18,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:42:18,588 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 2026-02-10T11:42:18,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0 2026-02-10T11:42:18,592 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 2026-02-10T11:42:18,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42 2026-02-10T11:42:18,595 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 2026-02-10T11:42:18,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42 2026-02-10T11:42:18,599 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 2026-02-10T11:42:18,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3 2026-02-10T11:42:18,602 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 2026-02-10T11:42:18,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:42:18,606 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 2026-02-10T11:42:18,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1 2026-02-10T11:42:18,609 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 2026-02-10T11:42:18,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0 2026-02-10T11:42:18,612 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 2026-02-10T11:42:18,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0 2026-02-10T11:42:18,616 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 2026-02-10T11:42:18,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2 2026-02-10T11:42:18,620 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 2026-02-10T11:42:18,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4 2026-02-10T11:42:18,624 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 2026-02-10T11:42:18,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43 2026-02-10T11:42:18,628 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 2026-02-10T11:42:18,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71 2026-02-10T11:42:18,631 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 2026-02-10T11:42:18,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:42:18,635 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 2026-02-10T11:42:18,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2 2026-02-10T11:42:18,639 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 2026-02-10T11:42:18,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41 2026-02-10T11:42:18,643 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 2026-02-10T11:42:18,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72 2026-02-10T11:42:18,647 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 2026-02-10T11:42:18,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1 2026-02-10T11:42:18,650 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 2026-02-10T11:42:18,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72 2026-02-10T11:42:18,654 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 2026-02-10T11:42:18,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41 2026-02-10T11:42:18,658 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 2026-02-10T11:42:18,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2 2026-02-10T11:42:18,662 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 2026-02-10T11:42:18,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1 2026-02-10T11:42:18,666 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 2026-02-10T11:42:18,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41 2026-02-10T11:42:18,669 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 2026-02-10T11:42:18,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3 2026-02-10T11:42:18,673 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 2026-02-10T11:42:18,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2 2026-02-10T11:42:18,677 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 2026-02-10T11:42:18,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0 2026-02-10T11:42:18,681 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 2026-02-10T11:42:18,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0 2026-02-10T11:42:18,685 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 2026-02-10T11:42:18,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2 2026-02-10T11:42:18,688 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 2026-02-10T11:42:18,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66 2026-02-10T11:42:18,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A 2026-02-10T11:42:18,697 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 2026-02-10T11:42:18,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B 2026-02-10T11:42:18,700 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 2026-02-10T11:42:18,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B 2026-02-10T11:42:18,704 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 2026-02-10T11:42:18,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A 2026-02-10T11:42:18,707 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 2026-02-10T11:42:18,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07 2026-02-10T11:42:18,711 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 2026-02-10T11:42:18,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A 2026-02-10T11:42:18,715 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 2026-02-10T11:42:18,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A 2026-02-10T11:42:18,719 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 2026-02-10T11:42:18,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B 2026-02-10T11:42:18,723 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 2026-02-10T11:42:18,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A 2026-02-10T11:42:18,727 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 2026-02-10T11:42:18,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A 2026-02-10T11:42:18,730 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 2026-02-10T11:42:18,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B 2026-02-10T11:42:18,734 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 2026-02-10T11:42:18,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B 2026-02-10T11:42:18,738 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 2026-02-10T11:42:18,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36 2026-02-10T11:42:18,741 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 2026-02-10T11:42:18,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B 2026-02-10T11:42:18,745 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 2026-02-10T11:42:18,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02 2026-02-10T11:42:18,749 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 2026-02-10T11:42:18,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B 2026-02-10T11:42:18,753 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 2026-02-10T11:42:18,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A 2026-02-10T11:42:18,756 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 2026-02-10T11:42:18,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A 2026-02-10T11:42:18,761 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 2026-02-10T11:42:18,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B 2026-02-10T11:42:18,767 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 2026-02-10T11:42:18,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64 2026-02-10T11:42:18,771 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 2026-02-10T11:42:18,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A 2026-02-10T11:42:18,775 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 2026-02-10T11:42:18,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12 2026-02-10T11:42:18,779 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 2026-02-10T11:42:18,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A 2026-02-10T11:42:18,783 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 2026-02-10T11:42:18,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A 2026-02-10T11:42:18,788 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 2026-02-10T11:42:18,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A 2026-02-10T11:42:18,792 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 2026-02-10T11:42:18,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B 2026-02-10T11:42:18,796 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 2026-02-10T11:42:18,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B 2026-02-10T11:42:18,799 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 2026-02-10T11:42:18,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B 2026-02-10T11:42:18,804 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 2026-02-10T11:42:18,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A 2026-02-10T11:42:18,807 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 2026-02-10T11:42:18,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27 2026-02-10T11:42:18,812 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 2026-02-10T11:42:18,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A 2026-02-10T11:42:18,815 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 2026-02-10T11:42:18,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18 2026-02-10T11:42:18,819 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 2026-02-10T11:42:18,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B 2026-02-10T11:42:18,823 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 2026-02-10T11:42:18,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A 2026-02-10T11:42:18,827 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 2026-02-10T11:42:18,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A 2026-02-10T11:42:18,832 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 2026-02-10T11:42:18,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34 2026-02-10T11:42:18,836 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 2026-02-10T11:42:18,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13 2026-02-10T11:42:18,840 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 2026-02-10T11:42:18,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A 2026-02-10T11:42:18,844 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 2026-02-10T11:42:18,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62 2026-02-10T11:42:18,848 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 2026-02-10T11:42:18,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A 2026-02-10T11:42:18,852 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A 2026-02-10T11:42:18,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B 2026-02-10T11:42:18,856 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 2026-02-10T11:42:18,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B 2026-02-10T11:42:18,860 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 2026-02-10T11:42:18,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A 2026-02-10T11:42:18,864 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 2026-02-10T11:42:18,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B 2026-02-10T11:42:18,868 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 2026-02-10T11:42:18,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A 2026-02-10T11:42:18,872 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 2026-02-10T11:42:18,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A 2026-02-10T11:42:18,876 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 2026-02-10T11:42:18,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B 2026-02-10T11:42:18,879 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 2026-02-10T11:42:18,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48 2026-02-10T11:42:18,883 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 2026-02-10T11:42:18,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B 2026-02-10T11:42:18,887 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 2026-02-10T11:42:18,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45 2026-02-10T11:42:18,891 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 2026-02-10T11:42:18,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46 2026-02-10T11:42:18,894 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 2026-02-10T11:42:18,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B 2026-02-10T11:42:18,898 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 2026-02-10T11:42:18,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A 2026-02-10T11:42:18,902 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 2026-02-10T11:42:18,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66 2026-02-10T11:42:18,906 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 2026-02-10T11:42:18,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B 2026-02-10T11:42:18,910 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 2026-02-10T11:42:18,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38 2026-02-10T11:42:18,913 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 2026-02-10T11:42:18,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49 2026-02-10T11:42:18,917 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 2026-02-10T11:42:18,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A 2026-02-10T11:42:18,920 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 2026-02-10T11:42:18,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A 2026-02-10T11:42:18,924 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 2026-02-10T11:42:18,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A 2026-02-10T11:42:18,928 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 2026-02-10T11:42:18,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05 2026-02-10T11:42:18,931 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 2026-02-10T11:42:18,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20 2026-02-10T11:42:18,935 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 2026-02-10T11:42:18,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01 2026-02-10T11:42:18,938 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 2026-02-10T11:42:18,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A 2026-02-10T11:42:18,942 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 2026-02-10T11:42:18,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55 2026-02-10T11:42:18,945 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 2026-02-10T11:42:18,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A 2026-02-10T11:42:18,949 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 2026-02-10T11:42:18,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61 2026-02-10T11:42:18,952 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 2026-02-10T11:42:18,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B 2026-02-10T11:42:18,956 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 2026-02-10T11:42:18,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A 2026-02-10T11:42:18,960 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 2026-02-10T11:42:18,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B 2026-02-10T11:42:18,963 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 2026-02-10T11:42:18,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59 2026-02-10T11:42:18,967 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 2026-02-10T11:42:18,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08 2026-02-10T11:42:18,970 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 2026-02-10T11:42:18,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B 2026-02-10T11:42:18,974 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 2026-02-10T11:42:18,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B 2026-02-10T11:42:18,977 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 2026-02-10T11:42:18,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A 2026-02-10T11:42:18,981 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 2026-02-10T11:42:18,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B 2026-02-10T11:42:18,985 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 2026-02-10T11:42:18,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A 2026-02-10T11:42:18,990 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 2026-02-10T11:42:18,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B 2026-02-10T11:42:18,995 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 2026-02-10T11:42:19,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41 2026-02-10T11:42:19,001 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 2026-02-10T11:42:19,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63 2026-02-10T11:42:19,004 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 2026-02-10T11:42:19,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B 2026-02-10T11:42:19,008 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 2026-02-10T11:42:19,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B 2026-02-10T11:42:19,011 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 2026-02-10T11:42:19,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B 2026-02-10T11:42:19,015 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 2026-02-10T11:42:19,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B 2026-02-10T11:42:19,018 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 2026-02-10T11:42:19,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04 2026-02-10T11:42:19,022 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 2026-02-10T11:42:19,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A 2026-02-10T11:42:19,025 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 2026-02-10T11:42:19,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A 2026-02-10T11:42:19,029 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 2026-02-10T11:42:19,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16 2026-02-10T11:42:19,032 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 2026-02-10T11:42:19,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A 2026-02-10T11:42:19,036 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 2026-02-10T11:42:19,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B 2026-02-10T11:42:19,040 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 2026-02-10T11:42:19,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B 2026-02-10T11:42:19,043 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 2026-02-10T11:42:19,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A 2026-02-10T11:42:19,048 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 2026-02-10T11:42:19,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B 2026-02-10T11:42:19,052 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 2026-02-10T11:42:19,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A 2026-02-10T11:42:19,056 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 2026-02-10T11:42:19,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B 2026-02-10T11:42:19,059 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 2026-02-10T11:42:19,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A 2026-02-10T11:42:19,063 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 2026-02-10T11:42:19,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44 2026-02-10T11:42:19,067 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 2026-02-10T11:42:19,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A 2026-02-10T11:42:19,071 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 2026-02-10T11:42:19,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B 2026-02-10T11:42:19,075 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 2026-02-10T11:42:19,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A 2026-02-10T11:42:19,078 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 2026-02-10T11:42:19,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25 2026-02-10T11:42:19,081 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 2026-02-10T11:42:19,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30 2026-02-10T11:42:19,085 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 2026-02-10T11:42:19,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54 2026-02-10T11:42:19,089 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 2026-02-10T11:42:19,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B 2026-02-10T11:42:19,092 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 2026-02-10T11:42:19,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B 2026-02-10T11:42:19,095 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 2026-02-10T11:42:19,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A 2026-02-10T11:42:19,099 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 2026-02-10T11:42:19,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B 2026-02-10T11:42:19,102 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 2026-02-10T11:42:19,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B 2026-02-10T11:42:19,106 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 2026-02-10T11:42:19,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B 2026-02-10T11:42:19,109 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 2026-02-10T11:42:19,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A 2026-02-10T11:42:19,113 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 2026-02-10T11:42:19,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B 2026-02-10T11:42:19,117 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 2026-02-10T11:42:19,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53 2026-02-10T11:42:19,120 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 2026-02-10T11:42:19,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B 2026-02-10T11:42:19,124 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 2026-02-10T11:42:19,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B 2026-02-10T11:42:19,127 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 2026-02-10T11:42:19,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B 2026-02-10T11:42:19,130 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 2026-02-10T11:42:19,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43 2026-02-10T11:42:19,134 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 2026-02-10T11:42:19,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57 2026-02-10T11:42:19,137 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 2026-02-10T11:42:19,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B 2026-02-10T11:42:19,141 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 2026-02-10T11:42:19,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56 2026-02-10T11:42:19,144 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 2026-02-10T11:42:19,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09 2026-02-10T11:42:19,148 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 2026-02-10T11:42:19,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37 2026-02-10T11:42:19,151 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 2026-02-10T11:42:19,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22 2026-02-10T11:42:19,155 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 2026-02-10T11:42:19,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A 2026-02-10T11:42:19,158 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 2026-02-10T11:42:19,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A 2026-02-10T11:42:19,162 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 2026-02-10T11:42:19,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A 2026-02-10T11:42:19,165 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 2026-02-10T11:42:19,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A 2026-02-10T11:42:19,169 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 2026-02-10T11:42:19,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23 2026-02-10T11:42:19,172 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 2026-02-10T11:42:19,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B 2026-02-10T11:42:19,175 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 2026-02-10T11:42:19,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A 2026-02-10T11:42:19,179 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 2026-02-10T11:42:19,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A 2026-02-10T11:42:19,182 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 2026-02-10T11:42:19,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A 2026-02-10T11:42:19,186 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 2026-02-10T11:42:19,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A 2026-02-10T11:42:19,189 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 2026-02-10T11:42:19,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A 2026-02-10T11:42:19,193 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 2026-02-10T11:42:19,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B 2026-02-10T11:42:19,196 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 2026-02-10T11:42:19,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A 2026-02-10T11:42:19,200 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 2026-02-10T11:42:19,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10 2026-02-10T11:42:19,203 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 2026-02-10T11:42:19,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47 2026-02-10T11:42:19,207 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 2026-02-10T11:42:19,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06 2026-02-10T11:42:19,210 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 2026-02-10T11:42:19,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28 2026-02-10T11:42:19,214 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 2026-02-10T11:42:19,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B 2026-02-10T11:42:19,217 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 2026-02-10T11:42:19,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26 2026-02-10T11:42:19,220 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 2026-02-10T11:42:19,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A 2026-02-10T11:42:19,224 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 2026-02-10T11:42:19,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A 2026-02-10T11:42:19,227 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 2026-02-10T11:42:19,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A 2026-02-10T11:42:19,231 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 2026-02-10T11:42:19,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40 2026-02-10T11:42:19,235 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 2026-02-10T11:42:19,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50 2026-02-10T11:42:19,238 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 2026-02-10T11:42:19,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A 2026-02-10T11:42:19,242 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 2026-02-10T11:42:19,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B 2026-02-10T11:42:19,246 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 2026-02-10T11:42:19,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51 2026-02-10T11:42:19,250 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 2026-02-10T11:42:19,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B 2026-02-10T11:42:19,254 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 2026-02-10T11:42:19,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11 2026-02-10T11:42:19,257 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 2026-02-10T11:42:19,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32 2026-02-10T11:42:19,260 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 2026-02-10T11:42:19,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B 2026-02-10T11:42:19,264 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 2026-02-10T11:42:19,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A 2026-02-10T11:42:19,267 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 2026-02-10T11:42:19,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B 2026-02-10T11:42:19,271 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 2026-02-10T11:42:19,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A 2026-02-10T11:42:19,275 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 2026-02-10T11:42:19,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24 2026-02-10T11:42:19,278 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 2026-02-10T11:42:19,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A 2026-02-10T11:42:19,282 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 2026-02-10T11:42:19,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15 2026-02-10T11:42:19,285 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 2026-02-10T11:42:19,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B 2026-02-10T11:42:19,289 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 2026-02-10T11:42:19,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B 2026-02-10T11:42:19,293 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 2026-02-10T11:42:19,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B 2026-02-10T11:42:19,296 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 2026-02-10T11:42:19,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03 2026-02-10T11:42:19,300 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 2026-02-10T11:42:19,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A 2026-02-10T11:42:19,303 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 2026-02-10T11:42:19,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17 2026-02-10T11:42:19,306 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 2026-02-10T11:42:19,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B 2026-02-10T11:42:19,310 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 2026-02-10T11:42:19,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B 2026-02-10T11:42:19,313 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 2026-02-10T11:42:19,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21 2026-02-10T11:42:19,317 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 2026-02-10T11:42:19,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A 2026-02-10T11:42:19,321 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 2026-02-10T11:42:19,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A 2026-02-10T11:42:19,324 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 2026-02-10T11:42:19,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B 2026-02-10T11:42:19,328 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 2026-02-10T11:42:19,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B 2026-02-10T11:42:19,331 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 2026-02-10T11:42:19,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B 2026-02-10T11:42:19,335 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 2026-02-10T11:42:19,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60 2026-02-10T11:42:19,338 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 2026-02-10T11:42:19,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A 2026-02-10T11:42:19,342 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 2026-02-10T11:42:19,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52 2026-02-10T11:42:19,346 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 2026-02-10T11:42:19,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42 2026-02-10T11:42:19,349 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 2026-02-10T11:42:19,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A 2026-02-10T11:42:19,352 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 2026-02-10T11:42:19,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39 2026-02-10T11:42:19,356 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 2026-02-10T11:42:19,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35 2026-02-10T11:42:19,361 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 2026-02-10T11:42:19,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B 2026-02-10T11:42:19,365 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 2026-02-10T11:42:19,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14 2026-02-10T11:42:19,368 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 2026-02-10T11:42:19,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B 2026-02-10T11:42:19,371 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 2026-02-10T11:42:19,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B 2026-02-10T11:42:19,375 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 2026-02-10T11:42:19,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19 2026-02-10T11:42:19,379 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 2026-02-10T11:42:19,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33 2026-02-10T11:42:19,382 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 2026-02-10T11:42:19,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A 2026-02-10T11:42:19,386 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 2026-02-10T11:42:19,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B 2026-02-10T11:42:19,389 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 2026-02-10T11:42:19,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B 2026-02-10T11:42:19,393 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 2026-02-10T11:42:19,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65 2026-02-10T11:42:19,396 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 2026-02-10T11:42:19,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58 2026-02-10T11:42:19,399 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 2026-02-10T11:42:19,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29 2026-02-10T11:42:19,403 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 2026-02-10T11:42:19,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A 2026-02-10T11:42:19,406 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 2026-02-10T11:42:19,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B 2026-02-10T11:42:19,410 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 2026-02-10T11:42:19,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A 2026-02-10T11:42:19,413 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 2026-02-10T11:42:19,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B 2026-02-10T11:42:19,417 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 2026-02-10T11:42:19,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A 2026-02-10T11:42:19,421 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 2026-02-10T11:42:19,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31 2026-02-10T11:42:19,424 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 2026-02-10T11:42:19,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16 2026-02-10T11:42:19,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228 2026-02-10T11:42:19,430 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 2026-02-10T11:42:19,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A 2026-02-10T11:42:19,434 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 2026-02-10T11:42:19,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A 2026-02-10T11:42:19,437 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 2026-02-10T11:42:19,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A 2026-02-10T11:42:19,441 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 2026-02-10T11:42:19,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231 2026-02-10T11:42:19,444 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 2026-02-10T11:42:19,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214 2026-02-10T11:42:19,447 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 2026-02-10T11:42:19,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212 2026-02-10T11:42:19,451 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 2026-02-10T11:42:19,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230 2026-02-10T11:42:19,454 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 2026-02-10T11:42:19,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B 2026-02-10T11:42:19,458 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 2026-02-10T11:42:19,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187 2026-02-10T11:42:19,461 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 2026-02-10T11:42:19,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147 2026-02-10T11:42:19,464 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 2026-02-10T11:42:19,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213 2026-02-10T11:42:19,468 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 2026-02-10T11:42:19,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B 2026-02-10T11:42:19,471 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 2026-02-10T11:42:19,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A 2026-02-10T11:42:19,475 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 2026-02-10T11:42:19,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A 2026-02-10T11:42:19,479 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 2026-02-10T11:42:19,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A 2026-02-10T11:42:19,482 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 2026-02-10T11:42:19,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B 2026-02-10T11:42:19,485 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 2026-02-10T11:42:19,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A 2026-02-10T11:42:19,489 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 2026-02-10T11:42:19,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A 2026-02-10T11:42:19,492 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 2026-02-10T11:42:19,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148 2026-02-10T11:42:19,496 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 2026-02-10T11:42:19,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150 2026-02-10T11:42:19,499 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 2026-02-10T11:42:19,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229 2026-02-10T11:42:19,502 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 2026-02-10T11:42:19,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B 2026-02-10T11:42:19,506 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 2026-02-10T11:42:19,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B 2026-02-10T11:42:19,509 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 2026-02-10T11:42:19,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B 2026-02-10T11:42:19,513 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 2026-02-10T11:42:19,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A 2026-02-10T11:42:19,516 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 2026-02-10T11:42:19,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008 2026-02-10T11:42:19,520 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 2026-02-10T11:42:19,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B 2026-02-10T11:42:19,523 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 2026-02-10T11:42:19,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202 2026-02-10T11:42:19,527 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 2026-02-10T11:42:19,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B 2026-02-10T11:42:19,530 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 2026-02-10T11:42:19,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152 2026-02-10T11:42:19,533 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 2026-02-10T11:42:19,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A 2026-02-10T11:42:19,537 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 2026-02-10T11:42:19,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B 2026-02-10T11:42:19,540 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 2026-02-10T11:42:19,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227 2026-02-10T11:42:19,544 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 2026-02-10T11:42:19,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A 2026-02-10T11:42:19,547 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 2026-02-10T11:42:19,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A 2026-02-10T11:42:19,551 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 2026-02-10T11:42:19,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B 2026-02-10T11:42:19,554 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 2026-02-10T11:42:19,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B 2026-02-10T11:42:19,558 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 2026-02-10T11:42:19,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A 2026-02-10T11:42:19,561 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 2026-02-10T11:42:19,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B 2026-02-10T11:42:19,565 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 2026-02-10T11:42:19,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144 2026-02-10T11:42:19,568 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 2026-02-10T11:42:19,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B 2026-02-10T11:42:19,571 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 2026-02-10T11:42:19,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B 2026-02-10T11:42:19,575 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 2026-02-10T11:42:19,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A 2026-02-10T11:42:19,579 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 2026-02-10T11:42:19,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A 2026-02-10T11:42:19,582 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 2026-02-10T11:42:19,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B 2026-02-10T11:42:19,585 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 2026-02-10T11:42:19,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A 2026-02-10T11:42:19,589 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 2026-02-10T11:42:19,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B 2026-02-10T11:42:19,592 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 2026-02-10T11:42:19,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27 2026-02-10T11:42:19,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5 2026-02-10T11:42:19,597 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 2026-02-10T11:42:19,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:42:19,601 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 2026-02-10T11:42:19,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:42:19,604 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 2026-02-10T11:42:19,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:42:19,608 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 2026-02-10T11:42:19,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op 2026-02-10T11:42:19,611 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 2026-02-10T11:42:19,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:42:19,615 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 2026-02-10T11:42:19,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:42:19,618 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 2026-02-10T11:42:19,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm 2026-02-10T11:42:19,621 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 2026-02-10T11:42:19,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:42:19,625 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 2026-02-10T11:42:19,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c 2026-02-10T11:42:19,628 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 2026-02-10T11:42:19,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:42:19,632 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 2026-02-10T11:42:19,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:42:19,635 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 2026-02-10T11:42:19,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:42:19,639 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 2026-02-10T11:42:19,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O 2026-02-10T11:42:19,642 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 2026-02-10T11:42:19,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:42:19,646 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 2026-02-10T11:42:19,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:42:19,649 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 2026-02-10T11:42:19,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es 2026-02-10T11:42:19,653 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 2026-02-10T11:42:19,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:42:19,657 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 2026-02-10T11:42:19,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:42:19,660 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 2026-02-10T11:42:19,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:42:19,663 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 2026-02-10T11:42:19,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b 2026-02-10T11:42:19,667 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 2026-02-10T11:42:19,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4 2026-02-10T11:42:19,670 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 2026-02-10T11:42:19,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:42:19,674 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 2026-02-10T11:42:19,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3 2026-02-10T11:42:19,677 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 2026-02-10T11:42:19,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6 2026-02-10T11:42:19,680 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 2026-02-10T11:42:19,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:42:19,684 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 2026-02-10T11:42:19,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20 2026-02-10T11:42:19,687 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 2026-02-10T11:42:19,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:42:19,691 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 2026-02-10T11:42:19,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2 2026-02-10T11:42:19,694 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 2026-02-10T11:42:19,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:42:19,698 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 2026-02-10T11:42:19,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA 2026-02-10T11:42:19,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18 2026-02-10T11:42:19,703 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 2026-02-10T11:42:19,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n 2026-02-10T11:42:19,707 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 2026-02-10T11:42:19,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o 2026-02-10T11:42:19,710 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 2026-02-10T11:42:19,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24 2026-02-10T11:42:19,713 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 2026-02-10T11:42:19,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si- 2026-02-10T11:42:19,717 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- 2026-02-10T11:42:19,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15 2026-02-10T11:42:19,721 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 2026-02-10T11:42:19,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n 2026-02-10T11:42:19,724 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 2026-02-10T11:42:19,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21 2026-02-10T11:42:19,728 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 2026-02-10T11:42:19,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17 2026-02-10T11:42:19,731 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 2026-02-10T11:42:19,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n 2026-02-10T11:42:19,735 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 2026-02-10T11:42:19,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p- 2026-02-10T11:42:19,738 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- 2026-02-10T11:42:19,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13 2026-02-10T11:42:19,742 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 2026-02-10T11:42:19,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n 2026-02-10T11:42:19,746 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 2026-02-10T11:42:19,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n 2026-02-10T11:42:19,749 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 2026-02-10T11:42:19,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n 2026-02-10T11:42:19,752 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 2026-02-10T11:42:19,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22 2026-02-10T11:42:19,756 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 2026-02-10T11:42:19,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n 2026-02-10T11:42:19,759 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 2026-02-10T11:42:19,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14 2026-02-10T11:42:19,763 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 2026-02-10T11:42:19,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f 2026-02-10T11:42:19,766 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 2026-02-10T11:42:19,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n 2026-02-10T11:42:19,770 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 2026-02-10T11:42:19,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n 2026-02-10T11:42:19,773 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 2026-02-10T11:42:19,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n 2026-02-10T11:42:19,777 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 2026-02-10T11:42:19,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8 2026-02-10T11:42:19,781 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 2026-02-10T11:42:19,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11 2026-02-10T11:42:19,784 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 2026-02-10T11:42:19,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20 2026-02-10T11:42:19,787 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 2026-02-10T11:42:19,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23 2026-02-10T11:42:19,791 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 2026-02-10T11:42:19,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si 2026-02-10T11:42:19,794 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 2026-02-10T11:42:19,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25 2026-02-10T11:42:19,797 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 2026-02-10T11:42:19,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n 2026-02-10T11:42:19,801 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 2026-02-10T11:42:19,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9 2026-02-10T11:42:19,804 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 2026-02-10T11:42:19,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s 2026-02-10T11:42:19,808 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 2026-02-10T11:42:19,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12 2026-02-10T11:42:19,811 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 2026-02-10T11:42:19,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n 2026-02-10T11:42:19,815 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 2026-02-10T11:42:19,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c 2026-02-10T11:42:19,818 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 2026-02-10T11:42:19,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n 2026-02-10T11:42:19,822 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 2026-02-10T11:42:19,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n 2026-02-10T11:42:19,825 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 2026-02-10T11:42:19,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl 2026-02-10T11:42:19,828 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 2026-02-10T11:42:19,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19 2026-02-10T11:42:19,832 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 2026-02-10T11:42:19,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n 2026-02-10T11:42:19,835 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 2026-02-10T11:42:19,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10 2026-02-10T11:42:19,839 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 2026-02-10T11:42:19,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:42:19,842 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- 2026-02-10T11:42:19,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16 2026-02-10T11:42:19,846 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 2026-02-10T11:42:19,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p 2026-02-10T11:42:19,850 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 2026-02-10T11:42:19,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c- 2026-02-10T11:42:19,853 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- 2026-02-10T11:42:19,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f- 2026-02-10T11:42:19,857 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- 2026-02-10T11:42:19,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n 2026-02-10T11:42:19,860 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 2026-02-10T11:42:19,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n 2026-02-10T11:42:19,864 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 2026-02-10T11:42:19,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o- 2026-02-10T11:42:19,868 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- 2026-02-10T11:42:19,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n 2026-02-10T11:42:19,871 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 2026-02-10T11:42:19,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s- 2026-02-10T11:42:19,874 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- 2026-02-10T11:42:19,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22 2026-02-10T11:42:19,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b 2026-02-10T11:42:19,881 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 2026-02-10T11:42:19,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b 2026-02-10T11:42:19,884 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 2026-02-10T11:42:19,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a 2026-02-10T11:42:19,888 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 2026-02-10T11:42:19,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07 2026-02-10T11:42:19,891 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 2026-02-10T11:42:19,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b 2026-02-10T11:42:19,894 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 2026-02-10T11:42:19,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a 2026-02-10T11:42:19,898 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 2026-02-10T11:42:19,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b 2026-02-10T11:42:19,902 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 2026-02-10T11:42:19,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02 2026-02-10T11:42:19,905 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 2026-02-10T11:42:19,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12 2026-02-10T11:42:19,909 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 2026-02-10T11:42:19,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b 2026-02-10T11:42:19,912 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 2026-02-10T11:42:19,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a 2026-02-10T11:42:19,916 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 2026-02-10T11:42:19,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a 2026-02-10T11:42:19,919 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 2026-02-10T11:42:19,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b 2026-02-10T11:42:19,922 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 2026-02-10T11:42:19,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b 2026-02-10T11:42:19,926 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 2026-02-10T11:42:19,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18 2026-02-10T11:42:19,929 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 2026-02-10T11:42:19,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13 2026-02-10T11:42:19,933 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 2026-02-10T11:42:19,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a 2026-02-10T11:42:19,936 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 2026-02-10T11:42:19,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a 2026-02-10T11:42:19,940 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 2026-02-10T11:42:19,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a 2026-02-10T11:42:19,943 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 2026-02-10T11:42:19,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b 2026-02-10T11:42:19,947 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 2026-02-10T11:42:19,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05 2026-02-10T11:42:19,950 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 2026-02-10T11:42:19,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20 2026-02-10T11:42:19,954 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 2026-02-10T11:42:19,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01 2026-02-10T11:42:19,958 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 2026-02-10T11:42:19,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a 2026-02-10T11:42:19,961 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 2026-02-10T11:42:19,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a 2026-02-10T11:42:19,965 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 2026-02-10T11:42:19,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b 2026-02-10T11:42:19,968 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 2026-02-10T11:42:19,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b 2026-02-10T11:42:19,972 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 2026-02-10T11:42:19,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a 2026-02-10T11:42:19,976 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 2026-02-10T11:42:19,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08 2026-02-10T11:42:19,980 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 2026-02-10T11:42:19,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b 2026-02-10T11:42:19,983 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 2026-02-10T11:42:19,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a 2026-02-10T11:42:19,987 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 2026-02-10T11:42:19,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04 2026-02-10T11:42:19,990 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 2026-02-10T11:42:19,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16 2026-02-10T11:42:19,994 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 2026-02-10T11:42:19,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a 2026-02-10T11:42:19,997 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 2026-02-10T11:42:20,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b 2026-02-10T11:42:20,001 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 2026-02-10T11:42:20,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a 2026-02-10T11:42:20,004 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 2026-02-10T11:42:20,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a 2026-02-10T11:42:20,007 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 2026-02-10T11:42:20,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09 2026-02-10T11:42:20,011 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 2026-02-10T11:42:20,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22 2026-02-10T11:42:20,014 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 2026-02-10T11:42:20,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10 2026-02-10T11:42:20,018 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 2026-02-10T11:42:20,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06 2026-02-10T11:42:20,021 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 2026-02-10T11:42:20,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a 2026-02-10T11:42:20,025 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 2026-02-10T11:42:20,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a 2026-02-10T11:42:20,029 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 2026-02-10T11:42:20,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a 2026-02-10T11:42:20,032 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 2026-02-10T11:42:20,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a 2026-02-10T11:42:20,035 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 2026-02-10T11:42:20,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b 2026-02-10T11:42:20,039 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 2026-02-10T11:42:20,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11 2026-02-10T11:42:20,043 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 2026-02-10T11:42:20,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15 2026-02-10T11:42:20,046 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 2026-02-10T11:42:20,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03 2026-02-10T11:42:20,050 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 2026-02-10T11:42:20,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17 2026-02-10T11:42:20,053 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 2026-02-10T11:42:20,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a 2026-02-10T11:42:20,057 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 2026-02-10T11:42:20,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21 2026-02-10T11:42:20,060 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 2026-02-10T11:42:20,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a 2026-02-10T11:42:20,064 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 2026-02-10T11:42:20,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a 2026-02-10T11:42:20,067 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 2026-02-10T11:42:20,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a 2026-02-10T11:42:20,070 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 2026-02-10T11:42:20,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14 2026-02-10T11:42:20,074 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 2026-02-10T11:42:20,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19 2026-02-10T11:42:20,077 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 2026-02-10T11:42:20,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4 2026-02-10T11:42:20,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:42:20,083 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 2026-02-10T11:42:20,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:42:20,086 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 2026-02-10T11:42:20,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:42:20,090 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 2026-02-10T11:42:20,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he 2026-02-10T11:42:20,093 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 2026-02-10T11:42:20,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:42:20,097 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 2026-02-10T11:42:20,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3 2026-02-10T11:42:20,100 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 2026-02-10T11:42:20,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:42:20,103 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 2026-02-10T11:42:20,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:42:20,107 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 2026-02-10T11:42:20,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:42:20,110 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 2026-02-10T11:42:20,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:42:20,114 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 2026-02-10T11:42:20,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:42:20,117 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 2026-02-10T11:42:20,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:42:20,121 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+ 2026-02-10T11:42:20,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:42:20,125 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 2026-02-10T11:42:20,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h 2026-02-10T11:42:20,128 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 2026-02-10T11:42:20,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o 2026-02-10T11:42:20,132 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 2026-02-10T11:42:20,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:42:20,135 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+ 2026-02-10T11:42:20,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:42:20,138 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 2026-02-10T11:42:20,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:42:20,142 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 2026-02-10T11:42:20,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:42:20,145 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 2026-02-10T11:42:20,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:42:20,149 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 2026-02-10T11:42:20,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:42:20,152 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 2026-02-10T11:42:20,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+ 2026-02-10T11:42:20,156 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+ 2026-02-10T11:42:20,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:42:20,159 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 2026-02-10T11:42:20,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC 2026-02-10T11:42:20,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9 2026-02-10T11:42:20,165 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 2026-02-10T11:42:20,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3 2026-02-10T11:42:20,168 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 2026-02-10T11:42:20,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4 2026-02-10T11:42:20,172 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 2026-02-10T11:42:20,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6 2026-02-10T11:42:20,176 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 2026-02-10T11:42:20,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X 2026-02-10T11:42:20,179 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 2026-02-10T11:42:20,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10 2026-02-10T11:42:20,182 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 2026-02-10T11:42:20,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein 2026-02-10T11:42:20,186 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 2026-02-10T11:42:20,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X 2026-02-10T11:42:20,189 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 2026-02-10T11:42:20,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X 2026-02-10T11:42:20,193 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 2026-02-10T11:42:20,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7 2026-02-10T11:42:20,196 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 2026-02-10T11:42:20,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene 2026-02-10T11:42:20,199 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 2026-02-10T11:42:20,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1 2026-02-10T11:42:20,203 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 2026-02-10T11:42:20,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2 2026-02-10T11:42:20,206 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 2026-02-10T11:42:20,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X 2026-02-10T11:42:20,210 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 2026-02-10T11:42:20,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH 2026-02-10T11:42:20,213 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 2026-02-10T11:42:20,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5 2026-02-10T11:42:20,217 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 2026-02-10T11:42:20,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene 2026-02-10T11:42:20,220 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 2026-02-10T11:42:20,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine 2026-02-10T11:42:20,223 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 2026-02-10T11:42:20,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8 2026-02-10T11:42:20,227 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 2026-02-10T11:42:20,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane 2026-02-10T11:42:20,230 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane 2026-02-10T11:42:20,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene 2026-02-10T11:42:20,234 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 2026-02-10T11:42:20,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene 2026-02-10T11:42:20,237 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 2026-02-10T11:42:20,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24 2026-02-10T11:42:20,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e 2026-02-10T11:42:20,243 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 2026-02-10T11:42:20,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e 2026-02-10T11:42:20,247 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 2026-02-10T11:42:20,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e 2026-02-10T11:42:20,251 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 2026-02-10T11:42:20,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p 2026-02-10T11:42:20,255 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 2026-02-10T11:42:20,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e 2026-02-10T11:42:20,258 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 2026-02-10T11:42:20,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p 2026-02-10T11:42:20,262 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 2026-02-10T11:42:20,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e 2026-02-10T11:42:20,265 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 2026-02-10T11:42:20,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e 2026-02-10T11:42:20,269 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 2026-02-10T11:42:20,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p 2026-02-10T11:42:20,272 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 2026-02-10T11:42:20,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e 2026-02-10T11:42:20,276 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 2026-02-10T11:42:20,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e 2026-02-10T11:42:20,280 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 2026-02-10T11:42:20,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e 2026-02-10T11:42:20,283 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 2026-02-10T11:42:20,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p 2026-02-10T11:42:20,287 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 2026-02-10T11:42:20,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p 2026-02-10T11:42:20,290 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 2026-02-10T11:42:20,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p 2026-02-10T11:42:20,294 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 2026-02-10T11:42:20,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p 2026-02-10T11:42:20,298 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 2026-02-10T11:42:20,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p 2026-02-10T11:42:20,301 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 2026-02-10T11:42:20,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p 2026-02-10T11:42:20,305 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 2026-02-10T11:42:20,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p 2026-02-10T11:42:20,308 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 2026-02-10T11:42:20,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p 2026-02-10T11:42:20,312 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 2026-02-10T11:42:20,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e 2026-02-10T11:42:20,315 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 2026-02-10T11:42:20,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e 2026-02-10T11:42:20,319 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 2026-02-10T11:42:20,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e 2026-02-10T11:42:20,322 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 2026-02-10T11:42:20,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e 2026-02-10T11:42:20,326 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 2026-02-10T11:42:20,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p 2026-02-10T11:42:20,330 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 2026-02-10T11:42:20,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e 2026-02-10T11:42:20,333 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 2026-02-10T11:42:20,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p 2026-02-10T11:42:20,337 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 2026-02-10T11:42:20,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p 2026-02-10T11:42:20,340 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 2026-02-10T11:42:20,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e 2026-02-10T11:42:20,344 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 2026-02-10T11:42:20,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p 2026-02-10T11:42:20,348 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 2026-02-10T11:42:20,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e 2026-02-10T11:42:20,351 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 2026-02-10T11:42:20,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e 2026-02-10T11:42:20,355 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 2026-02-10T11:42:20,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e 2026-02-10T11:42:20,359 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 2026-02-10T11:42:20,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p 2026-02-10T11:42:20,362 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 2026-02-10T11:42:20,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e 2026-02-10T11:42:20,366 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 2026-02-10T11:42:20,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p 2026-02-10T11:42:20,370 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 2026-02-10T11:42:20,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p 2026-02-10T11:42:20,373 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 2026-02-10T11:42:20,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p 2026-02-10T11:42:20,377 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 2026-02-10T11:42:20,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p 2026-02-10T11:42:20,381 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 2026-02-10T11:42:20,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e 2026-02-10T11:42:20,385 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 2026-02-10T11:42:20,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p 2026-02-10T11:42:20,389 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 2026-02-10T11:42:20,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p 2026-02-10T11:42:20,392 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 2026-02-10T11:42:20,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e 2026-02-10T11:42:20,396 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 2026-02-10T11:42:20,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e 2026-02-10T11:42:20,400 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 2026-02-10T11:42:20,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p 2026-02-10T11:42:20,403 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 2026-02-10T11:42:20,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e 2026-02-10T11:42:20,407 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 2026-02-10T11:42:20,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e 2026-02-10T11:42:20,410 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 2026-02-10T11:42:20,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p 2026-02-10T11:42:20,414 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 2026-02-10T11:42:20,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26 2026-02-10T11:42:20,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh 2026-02-10T11:42:20,419 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 2026-02-10T11:42:20,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4 2026-02-10T11:42:20,423 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 2026-02-10T11:42:20,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A 2026-02-10T11:42:20,426 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 2026-02-10T11:42:20,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p 2026-02-10T11:42:20,430 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 2026-02-10T11:42:20,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p 2026-02-10T11:42:20,434 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 2026-02-10T11:42:20,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s 2026-02-10T11:42:20,437 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 2026-02-10T11:42:20,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3 2026-02-10T11:42:20,441 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 2026-02-10T11:42:20,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp 2026-02-10T11:42:20,444 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 2026-02-10T11:42:20,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G 2026-02-10T11:42:20,448 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 2026-02-10T11:42:20,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol 2026-02-10T11:42:20,451 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 2026-02-10T11:42:20,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp 2026-02-10T11:42:20,454 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 2026-02-10T11:42:20,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6 2026-02-10T11:42:20,458 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 2026-02-10T11:42:20,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2 2026-02-10T11:42:20,461 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 2026-02-10T11:42:20,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp 2026-02-10T11:42:20,465 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 2026-02-10T11:42:20,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4 2026-02-10T11:42:20,468 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 2026-02-10T11:42:20,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp 2026-02-10T11:42:20,472 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 2026-02-10T11:42:20,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p 2026-02-10T11:42:20,476 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 2026-02-10T11:42:20,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp 2026-02-10T11:42:20,479 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 2026-02-10T11:42:20,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly 2026-02-10T11:42:20,483 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 2026-02-10T11:42:20,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp 2026-02-10T11:42:20,487 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 2026-02-10T11:42:20,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp 2026-02-10T11:42:20,490 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 2026-02-10T11:42:20,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol 2026-02-10T11:42:20,493 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 2026-02-10T11:42:20,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p 2026-02-10T11:42:20,497 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 2026-02-10T11:42:20,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p 2026-02-10T11:42:20,500 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 2026-02-10T11:42:20,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap 2026-02-10T11:42:20,503 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 2026-02-10T11:42:20,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp 2026-02-10T11:42:20,507 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 2026-02-10T11:42:20,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp 2026-02-10T11:42:20,510 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 2026-02-10T11:42:20,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3 2026-02-10T11:42:20,514 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 2026-02-10T11:42:20,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o 2026-02-10T11:42:20,518 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 2026-02-10T11:42:20,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6 2026-02-10T11:42:20,522 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 2026-02-10T11:42:20,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:42:20,526 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 2026-02-10T11:42:20,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p 2026-02-10T11:42:20,529 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 2026-02-10T11:42:20,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p 2026-02-10T11:42:20,533 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 2026-02-10T11:42:20,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p 2026-02-10T11:42:20,536 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 2026-02-10T11:42:20,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8 2026-02-10T11:42:20,540 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 2026-02-10T11:42:20,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys 2026-02-10T11:42:20,543 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 2026-02-10T11:42:20,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s 2026-02-10T11:42:20,546 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 2026-02-10T11:42:20,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p 2026-02-10T11:42:20,550 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 2026-02-10T11:42:20,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C 2026-02-10T11:42:20,553 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 2026-02-10T11:42:20,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:42:20,557 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 2026-02-10T11:42:20,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass 2026-02-10T11:42:20,560 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 2026-02-10T11:42:20,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2 2026-02-10T11:42:20,563 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 2026-02-10T11:42:20,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T 2026-02-10T11:42:20,567 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 2026-02-10T11:42:20,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp 2026-02-10T11:42:20,570 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 2026-02-10T11:42:20,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op 2026-02-10T11:42:20,574 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 2026-02-10T11:42:20,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp 2026-02-10T11:42:20,578 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 2026-02-10T11:42:20,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6 2026-02-10T11:42:20,581 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 2026-02-10T11:42:20,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p 2026-02-10T11:42:20,584 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 2026-02-10T11:42:20,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p 2026-02-10T11:42:20,588 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 2026-02-10T11:42:20,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl 2026-02-10T11:42:20,591 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 2026-02-10T11:42:20,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp 2026-02-10T11:42:20,595 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 2026-02-10T11:42:20,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2 2026-02-10T11:42:20,598 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 2026-02-10T11:42:20,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13 2026-02-10T11:42:20,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2 2026-02-10T11:42:20,604 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 2026-02-10T11:42:20,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2 2026-02-10T11:42:20,607 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 2026-02-10T11:42:20,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4 2026-02-10T11:42:20,611 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 2026-02-10T11:42:20,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2 2026-02-10T11:42:20,615 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 2026-02-10T11:42:20,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2 2026-02-10T11:42:20,618 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 2026-02-10T11:42:20,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6 2026-02-10T11:42:20,621 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 2026-02-10T11:42:20,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1 2026-02-10T11:42:20,625 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 2026-02-10T11:42:20,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene 2026-02-10T11:42:20,628 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 2026-02-10T11:42:20,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:42:20,632 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 2026-02-10T11:42:20,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen 2026-02-10T11:42:20,635 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 2026-02-10T11:42:20,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:42:20,639 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 2026-02-10T11:42:20,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:42:20,642 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 2026-02-10T11:42:20,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be 2026-02-10T11:42:20,646 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 2026-02-10T11:42:20,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35 2026-02-10T11:42:20,649 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 2026-02-10T11:42:20,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8 2026-02-10T11:42:20,652 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 2026-02-10T11:42:20,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb 2026-02-10T11:42:20,656 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 2026-02-10T11:42:20,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip 2026-02-10T11:42:20,659 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 2026-02-10T11:42:20,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage 2026-02-10T11:42:20,663 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 2026-02-10T11:42:20,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2 2026-02-10T11:42:20,666 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 2026-02-10T11:42:20,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3 2026-02-10T11:42:20,670 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 2026-02-10T11:42:20,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:42:20,673 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 2026-02-10T11:42:20,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl 2026-02-10T11:42:20,677 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 2026-02-10T11:42:20,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne 2026-02-10T11:42:20,680 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 2026-02-10T11:42:20,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35 2026-02-10T11:42:20,684 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 2026-02-10T11:42:20,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6 2026-02-10T11:42:20,687 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 2026-02-10T11:42:20,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36 2026-02-10T11:42:20,691 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 2026-02-10T11:42:20,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4 2026-02-10T11:42:20,694 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 2026-02-10T11:42:20,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36 2026-02-10T11:42:20,698 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 2026-02-10T11:42:20,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen 2026-02-10T11:42:20,701 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 2026-02-10T11:42:20,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL 2026-02-10T11:42:20,705 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 2026-02-10T11:42:20,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21 2026-02-10T11:42:20,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:42:20,710 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 2026-02-10T11:42:20,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:42:20,714 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 2026-02-10T11:42:20,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99 2026-02-10T11:42:20,718 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 2026-02-10T11:42:20,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215 2026-02-10T11:42:20,721 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 2026-02-10T11:42:20,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:42:20,725 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 2026-02-10T11:42:20,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357 2026-02-10T11:42:20,729 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 2026-02-10T11:42:20,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470 2026-02-10T11:42:20,732 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 2026-02-10T11:42:20,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:42:20,736 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 2026-02-10T11:42:20,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b 2026-02-10T11:42:20,740 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 2026-02-10T11:42:20,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224 2026-02-10T11:42:20,744 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 2026-02-10T11:42:20,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:42:20,747 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 2026-02-10T11:42:20,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114 2026-02-10T11:42:20,751 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 2026-02-10T11:42:20,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691 2026-02-10T11:42:20,754 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 2026-02-10T11:42:20,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300 2026-02-10T11:42:20,758 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 2026-02-10T11:42:20,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:42:20,762 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 2026-02-10T11:42:20,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366 2026-02-10T11:42:20,765 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 2026-02-10T11:42:20,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:42:20,769 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 2026-02-10T11:42:20,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:42:20,772 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 2026-02-10T11:42:20,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444 2026-02-10T11:42:20,776 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 2026-02-10T11:42:20,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412 2026-02-10T11:42:20,779 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 2026-02-10T11:42:20,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:42:20,783 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 2026-02-10T11:42:20,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59 2026-02-10T11:42:20,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:42:20,790 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 2026-02-10T11:42:20,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:42:20,793 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 2026-02-10T11:42:20,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:42:20,797 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 2026-02-10T11:42:20,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:42:20,800 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 2026-02-10T11:42:20,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:42:20,803 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 2026-02-10T11:42:20,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:42:20,807 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 2026-02-10T11:42:20,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:42:20,810 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 2026-02-10T11:42:20,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:42:20,814 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 2026-02-10T11:42:20,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI 2026-02-10T11:42:20,817 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 2026-02-10T11:42:20,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:42:20,821 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 2026-02-10T11:42:20,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:42:20,824 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 2026-02-10T11:42:20,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe 2026-02-10T11:42:20,828 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 2026-02-10T11:42:20,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:42:20,832 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 2026-02-10T11:42:20,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr 2026-02-10T11:42:20,835 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 2026-02-10T11:42:20,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:42:20,838 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 2026-02-10T11:42:20,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI 2026-02-10T11:42:20,842 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 2026-02-10T11:42:20,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:42:20,845 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 2026-02-10T11:42:20,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:42:20,849 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 2026-02-10T11:42:20,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:42:20,852 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 2026-02-10T11:42:20,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:42:20,855 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 2026-02-10T11:42:20,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:42:20,859 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 2026-02-10T11:42:20,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:42:20,862 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 2026-02-10T11:42:20,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:42:20,866 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 2026-02-10T11:42:20,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:42:20,869 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 2026-02-10T11:42:20,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:42:20,873 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 2026-02-10T11:42:20,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:42:20,876 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 2026-02-10T11:42:20,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:42:20,880 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 2026-02-10T11:42:20,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:42:20,883 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 2026-02-10T11:42:20,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:42:20,886 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 2026-02-10T11:42:20,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI 2026-02-10T11:42:20,889 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 2026-02-10T11:42:20,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:42:20,893 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 2026-02-10T11:42:20,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH 2026-02-10T11:42:20,896 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 2026-02-10T11:42:20,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:42:20,901 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 2026-02-10T11:42:20,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:42:20,904 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 2026-02-10T11:42:20,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:42:20,907 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 2026-02-10T11:42:20,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:42:20,911 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 2026-02-10T11:42:20,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:42:20,915 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 2026-02-10T11:42:20,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:42:20,918 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 2026-02-10T11:42:20,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2 2026-02-10T11:42:20,921 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 2026-02-10T11:42:20,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:42:20,925 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 2026-02-10T11:42:20,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:42:20,931 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 2026-02-10T11:42:20,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:42:20,934 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 2026-02-10T11:42:20,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3 2026-02-10T11:42:20,938 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 2026-02-10T11:42:20,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:42:20,941 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 2026-02-10T11:42:20,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:42:20,945 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 2026-02-10T11:42:20,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:42:20,948 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 2026-02-10T11:42:20,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:42:20,952 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 2026-02-10T11:42:20,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH 2026-02-10T11:42:20,956 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 2026-02-10T11:42:20,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:42:20,960 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 2026-02-10T11:42:20,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:42:20,963 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 2026-02-10T11:42:20,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:42:20,966 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 2026-02-10T11:42:20,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:42:20,970 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 2026-02-10T11:42:20,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:42:20,973 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 2026-02-10T11:42:20,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:42:20,977 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 2026-02-10T11:42:20,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:42:20,980 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 2026-02-10T11:42:20,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:42:20,984 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 2026-02-10T11:42:20,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:42:20,989 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 2026-02-10T11:42:20,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:42:20,992 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 2026-02-10T11:42:20,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:42:20,996 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 2026-02-10T11:42:20,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:42:20,999 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 2026-02-10T11:42:21,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:42:21,003 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 2026-02-10T11:42:21,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:42:21,007 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 2026-02-10T11:42:21,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:42:21,010 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 2026-02-10T11:42:21,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH 2026-02-10T11:42:21,014 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 2026-02-10T11:42:21,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl 2026-02-10T11:42:21,017 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 2026-02-10T11:42:21,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:42:21,020 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 2026-02-10T11:42:21,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:42:21,024 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 2026-02-10T11:42:21,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:42:21,027 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 2026-02-10T11:42:21,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS 2026-02-10T11:42:21,031 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 2026-02-10T11:42:21,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:42:21,034 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 2026-02-10T11:42:21,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:42:21,038 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 2026-02-10T11:42:21,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:42:21,041 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 2026-02-10T11:42:21,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:42:21,045 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 2026-02-10T11:42:21,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:42:21,048 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 2026-02-10T11:42:21,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:42:21,051 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 2026-02-10T11:42:21,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:42:21,055 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 2026-02-10T11:42:21,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:42:21,058 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 2026-02-10T11:42:21,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:42:21,062 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 2026-02-10T11:42:21,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:42:21,065 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 2026-02-10T11:42:21,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:42:21,069 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 2026-02-10T11:42:21,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:42:21,072 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 2026-02-10T11:42:21,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:42:21,076 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 2026-02-10T11:42:21,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr 2026-02-10T11:42:21,080 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 2026-02-10T11:42:21,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:42:21,083 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 2026-02-10T11:42:21,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:42:21,087 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 2026-02-10T11:42:21,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:42:21,091 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 2026-02-10T11:42:21,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:42:21,094 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 2026-02-10T11:42:21,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:42:21,098 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 2026-02-10T11:42:21,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:42:21,101 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 2026-02-10T11:42:21,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:42:21,105 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 2026-02-10T11:42:21,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:42:21,108 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 2026-02-10T11:42:21,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI 2026-02-10T11:42:21,112 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 2026-02-10T11:42:21,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:42:21,115 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 2026-02-10T11:42:21,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:42:21,119 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 2026-02-10T11:42:21,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr 2026-02-10T11:42:21,123 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 2026-02-10T11:42:21,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:42:21,126 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 2026-02-10T11:42:21,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:42:21,130 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 2026-02-10T11:42:21,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr 2026-02-10T11:42:21,133 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 2026-02-10T11:42:21,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:42:21,137 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 2026-02-10T11:42:21,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:42:21,140 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 2026-02-10T11:42:21,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3 2026-02-10T11:42:21,143 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 2026-02-10T11:42:21,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:42:21,147 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 2026-02-10T11:42:21,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS 2026-02-10T11:42:21,150 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 2026-02-10T11:42:21,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:42:21,154 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 2026-02-10T11:42:21,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:42:21,157 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 2026-02-10T11:42:21,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP 2026-02-10T11:42:21,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64 2026-02-10T11:42:21,163 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 2026-02-10T11:42:21,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+ 2026-02-10T11:42:21,167 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+ 2026-02-10T11:42:21,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74 2026-02-10T11:42:21,170 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 2026-02-10T11:42:21,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12 2026-02-10T11:42:21,174 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 2026-02-10T11:42:21,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+ 2026-02-10T11:42:21,177 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+ 2026-02-10T11:42:21,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18 2026-02-10T11:42:21,181 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 2026-02-10T11:42:21,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59 2026-02-10T11:42:21,184 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 2026-02-10T11:42:21,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+ 2026-02-10T11:42:21,187 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+ 2026-02-10T11:42:21,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34 2026-02-10T11:42:21,190 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 2026-02-10T11:42:21,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13 2026-02-10T11:42:21,194 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 2026-02-10T11:42:21,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77 2026-02-10T11:42:21,198 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 2026-02-10T11:42:21,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b 2026-02-10T11:42:21,201 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 2026-02-10T11:42:21,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76 2026-02-10T11:42:21,205 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 2026-02-10T11:42:21,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+ 2026-02-10T11:42:21,208 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+ 2026-02-10T11:42:21,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48 2026-02-10T11:42:21,211 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 2026-02-10T11:42:21,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137 2026-02-10T11:42:21,215 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 2026-02-10T11:42:21,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45 2026-02-10T11:42:21,219 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 2026-02-10T11:42:21,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+ 2026-02-10T11:42:21,223 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+ 2026-02-10T11:42:21,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+ 2026-02-10T11:42:21,226 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+ 2026-02-10T11:42:21,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+ 2026-02-10T11:42:21,230 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+ 2026-02-10T11:42:21,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o 2026-02-10T11:42:21,233 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 2026-02-10T11:42:21,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be 2026-02-10T11:42:21,236 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 2026-02-10T11:42:21,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73 2026-02-10T11:42:21,240 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 2026-02-10T11:42:21,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20 2026-02-10T11:42:21,243 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 2026-02-10T11:42:21,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+ 2026-02-10T11:42:21,247 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+ 2026-02-10T11:42:21,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+ 2026-02-10T11:42:21,251 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+ 2026-02-10T11:42:21,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na 2026-02-10T11:42:21,255 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 2026-02-10T11:42:21,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+ 2026-02-10T11:42:21,258 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+ 2026-02-10T11:42:21,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80 2026-02-10T11:42:21,262 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 2026-02-10T11:42:21,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75 2026-02-10T11:42:21,265 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 2026-02-10T11:42:21,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70 2026-02-10T11:42:21,268 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 2026-02-10T11:42:21,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66 2026-02-10T11:42:21,272 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 2026-02-10T11:42:21,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si 2026-02-10T11:42:21,275 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 2026-02-10T11:42:21,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n 2026-02-10T11:42:21,279 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 2026-02-10T11:42:21,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h 2026-02-10T11:42:21,282 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 2026-02-10T11:42:21,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65 2026-02-10T11:42:21,286 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 2026-02-10T11:42:21,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li 2026-02-10T11:42:21,289 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 2026-02-10T11:42:21,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44 2026-02-10T11:42:21,293 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 2026-02-10T11:42:21,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25 2026-02-10T11:42:21,296 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 2026-02-10T11:42:21,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30 2026-02-10T11:42:21,300 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 2026-02-10T11:42:21,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s 2026-02-10T11:42:21,303 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 2026-02-10T11:42:21,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68 2026-02-10T11:42:21,307 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 2026-02-10T11:42:21,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg 2026-02-10T11:42:21,310 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 2026-02-10T11:42:21,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67 2026-02-10T11:42:21,314 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 2026-02-10T11:42:21,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78 2026-02-10T11:42:21,317 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 2026-02-10T11:42:21,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43 2026-02-10T11:42:21,320 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 2026-02-10T11:42:21,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37 2026-02-10T11:42:21,324 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 2026-02-10T11:42:21,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22 2026-02-10T11:42:21,327 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 2026-02-10T11:42:21,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p 2026-02-10T11:42:21,330 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 2026-02-10T11:42:21,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26 2026-02-10T11:42:21,334 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 2026-02-10T11:42:21,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+ 2026-02-10T11:42:21,337 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+ 2026-02-10T11:42:21,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72 2026-02-10T11:42:21,341 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 2026-02-10T11:42:21,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f 2026-02-10T11:42:21,344 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 2026-02-10T11:42:21,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+ 2026-02-10T11:42:21,348 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+ 2026-02-10T11:42:21,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60 2026-02-10T11:42:21,351 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 2026-02-10T11:42:21,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl 2026-02-10T11:42:21,354 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 2026-02-10T11:42:21,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65 2026-02-10T11:42:21,357 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 2026-02-10T11:42:21,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51 2026-02-10T11:42:21,361 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 2026-02-10T11:42:21,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71 2026-02-10T11:42:21,364 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 2026-02-10T11:42:21,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11 2026-02-10T11:42:21,368 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 2026-02-10T11:42:21,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61 2026-02-10T11:42:21,372 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 2026-02-10T11:42:21,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+ 2026-02-10T11:42:21,376 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+ 2026-02-10T11:42:21,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c 2026-02-10T11:42:21,379 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 2026-02-10T11:42:21,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+ 2026-02-10T11:42:21,383 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+ 2026-02-10T11:42:21,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14 2026-02-10T11:42:21,387 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 2026-02-10T11:42:21,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al 2026-02-10T11:42:21,390 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 2026-02-10T11:42:21,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19 2026-02-10T11:42:21,393 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 2026-02-10T11:42:21,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62 2026-02-10T11:42:21,397 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 2026-02-10T11:42:21,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8 2026-02-10T11:42:21,400 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 2026-02-10T11:42:21,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79 2026-02-10T11:42:21,403 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 2026-02-10T11:42:21,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63 2026-02-10T11:42:21,407 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 2026-02-10T11:42:21,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34 2026-02-10T11:42:21,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25 2026-02-10T11:42:21,413 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 2026-02-10T11:42:21,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24 2026-02-10T11:42:21,416 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 2026-02-10T11:42:21,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23 2026-02-10T11:42:21,419 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 2026-02-10T11:42:21,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19 2026-02-10T11:42:21,423 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 2026-02-10T11:42:21,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21 2026-02-10T11:42:21,426 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 2026-02-10T11:42:21,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26 2026-02-10T11:42:21,430 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 2026-02-10T11:42:21,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9 2026-02-10T11:42:21,433 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 2026-02-10T11:42:21,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3 2026-02-10T11:42:21,437 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 2026-02-10T11:42:21,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4 2026-02-10T11:42:21,440 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 2026-02-10T11:42:21,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20 2026-02-10T11:42:21,443 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 2026-02-10T11:42:21,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27 2026-02-10T11:42:21,447 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 2026-02-10T11:42:21,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6 2026-02-10T11:42:21,450 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 2026-02-10T11:42:21,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26 2026-02-10T11:42:21,453 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 2026-02-10T11:42:21,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30 2026-02-10T11:42:21,457 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 2026-02-10T11:42:21,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10 2026-02-10T11:42:21,460 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 2026-02-10T11:42:21,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20 2026-02-10T11:42:21,464 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 2026-02-10T11:42:21,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11 2026-02-10T11:42:21,467 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 2026-02-10T11:42:21,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7 2026-02-10T11:42:21,471 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 2026-02-10T11:42:21,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34 2026-02-10T11:42:21,474 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 2026-02-10T11:42:21,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7 2026-02-10T11:42:21,478 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 2026-02-10T11:42:21,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32 2026-02-10T11:42:21,481 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 2026-02-10T11:42:21,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30 2026-02-10T11:42:21,484 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 2026-02-10T11:42:21,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1 2026-02-10T11:42:21,488 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 2026-02-10T11:42:21,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12 2026-02-10T11:42:21,491 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 2026-02-10T11:42:21,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4 2026-02-10T11:42:21,495 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 2026-02-10T11:42:21,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15 2026-02-10T11:42:21,498 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 2026-02-10T11:42:21,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15 2026-02-10T11:42:21,501 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 2026-02-10T11:42:21,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2 2026-02-10T11:42:21,505 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 2026-02-10T11:42:21,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22 2026-02-10T11:42:21,508 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 2026-02-10T11:42:21,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23 2026-02-10T11:42:21,512 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 2026-02-10T11:42:21,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24 2026-02-10T11:42:21,515 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 2026-02-10T11:42:21,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16 2026-02-10T11:42:21,519 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 2026-02-10T11:42:21,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34 2026-02-10T11:42:21,522 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 2026-02-10T11:42:21,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10 2026-02-10T11:42:21,526 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 2026-02-10T11:42:21,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17 2026-02-10T11:42:21,529 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 2026-02-10T11:42:21,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17 2026-02-10T11:42:21,532 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 2026-02-10T11:42:21,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3 2026-02-10T11:42:21,536 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 2026-02-10T11:42:21,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21 2026-02-10T11:42:21,539 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 2026-02-10T11:42:21,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27 2026-02-10T11:42:21,542 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 2026-02-10T11:42:21,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13 2026-02-10T11:42:21,546 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 2026-02-10T11:42:21,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5 2026-02-10T11:42:21,549 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 2026-02-10T11:42:21,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31 2026-02-10T11:42:21,553 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 2026-02-10T11:42:21,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8 2026-02-10T11:42:21,557 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 2026-02-10T11:42:21,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29 2026-02-10T11:42:21,560 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 2026-02-10T11:42:21,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1 2026-02-10T11:42:21,564 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 2026-02-10T11:42:21,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14 2026-02-10T11:42:21,567 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 2026-02-10T11:42:21,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33 2026-02-10T11:42:21,570 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 2026-02-10T11:42:21,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31 2026-02-10T11:42:21,574 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 2026-02-10T11:42:21,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33 2026-02-10T11:42:21,577 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 2026-02-10T11:42:21,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16 2026-02-10T11:42:21,580 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 2026-02-10T11:42:21,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9 2026-02-10T11:42:21,584 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 2026-02-10T11:42:21,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11 2026-02-10T11:42:21,587 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 2026-02-10T11:42:21,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14 2026-02-10T11:42:21,591 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 2026-02-10T11:42:21,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12 2026-02-10T11:42:21,594 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 2026-02-10T11:42:21,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8 2026-02-10T11:42:21,598 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 2026-02-10T11:42:21,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29 2026-02-10T11:42:21,601 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 2026-02-10T11:42:21,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25 2026-02-10T11:42:21,605 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 2026-02-10T11:42:21,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13 2026-02-10T11:42:21,608 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 2026-02-10T11:42:21,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28 2026-02-10T11:42:21,612 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 2026-02-10T11:42:21,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18 2026-02-10T11:42:21,615 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 2026-02-10T11:42:21,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18 2026-02-10T11:42:21,619 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 2026-02-10T11:42:21,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32 2026-02-10T11:42:21,622 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 2026-02-10T11:42:21,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28 2026-02-10T11:42:21,626 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 2026-02-10T11:42:21,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6 2026-02-10T11:42:21,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2 2026-02-10T11:42:21,631 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 2026-02-10T11:42:21,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3 2026-02-10T11:42:21,635 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 2026-02-10T11:42:21,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4 2026-02-10T11:42:21,638 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 2026-02-10T11:42:21,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2 2026-02-10T11:42:21,642 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 2026-02-10T11:42:21,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6 2026-02-10T11:42:21,646 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 2026-02-10T11:42:21,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7 2026-02-10T11:42:21,650 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 2026-02-10T11:42:21,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5 2026-02-10T11:42:21,653 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 2026-02-10T11:42:21,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6 2026-02-10T11:42:21,657 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 2026-02-10T11:42:21,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5 2026-02-10T11:42:21,660 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 2026-02-10T11:42:21,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3 2026-02-10T11:42:21,664 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 2026-02-10T11:42:21,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4 2026-02-10T11:42:21,667 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 2026-02-10T11:42:21,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7 2026-02-10T11:42:21,670 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 2026-02-10T11:42:21,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4 2026-02-10T11:42:21,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:42:21,677 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 2026-02-10T11:42:21,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:42:21,681 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 2026-02-10T11:42:21,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:42:21,685 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 2026-02-10T11:42:21,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:42:21,689 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 2026-02-10T11:42:21,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:42:21,692 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 2026-02-10T11:42:21,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:42:21,696 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 2026-02-10T11:42:21,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:42:21,700 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 2026-02-10T11:42:21,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:42:21,703 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 2026-02-10T11:42:21,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:42:21,707 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 2026-02-10T11:42:21,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:42:21,710 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 2026-02-10T11:42:21,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:42:21,714 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 2026-02-10T11:42:21,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:42:21,718 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 2026-02-10T11:42:21,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:42:21,722 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 2026-02-10T11:42:21,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:42:21,725 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 2026-02-10T11:42:21,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:42:21,729 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 2026-02-10T11:42:21,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:42:21,733 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 2026-02-10T11:42:21,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:42:21,737 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 2026-02-10T11:42:21,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:42:21,740 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 2026-02-10T11:42:21,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:42:21,744 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 2026-02-10T11:42:21,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:42:21,747 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 2026-02-10T11:42:21,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:42:21,751 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 2026-02-10T11:42:21,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:42:21,755 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 2026-02-10T11:42:21,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:42:21,758 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 2026-02-10T11:42:21,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:42:21,762 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 2026-02-10T11:42:21,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:42:21,765 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 2026-02-10T11:42:21,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:42:21,769 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 2026-02-10T11:42:21,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:42:21,773 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 2026-02-10T11:42:21,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:42:21,776 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 2026-02-10T11:42:21,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:42:21,780 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 2026-02-10T11:42:21,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:42:21,784 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 2026-02-10T11:42:21,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:42:21,787 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 2026-02-10T11:42:21,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:42:21,790 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 2026-02-10T11:42:21,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:42:21,794 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 2026-02-10T11:42:21,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:42:21,798 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 2026-02-10T11:42:21,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:42:21,801 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 2026-02-10T11:42:21,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:42:21,805 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 2026-02-10T11:42:21,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:42:21,809 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 2026-02-10T11:42:21,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:42:21,812 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 2026-02-10T11:42:21,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:42:21,816 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 2026-02-10T11:42:21,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:42:21,819 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 2026-02-10T11:42:21,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:42:21,823 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 2026-02-10T11:42:21,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:42:21,827 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 2026-02-10T11:42:21,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:42:21,831 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 2026-02-10T11:42:21,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:42:21,835 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 2026-02-10T11:42:21,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:42:21,838 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 2026-02-10T11:42:21,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:42:21,841 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 2026-02-10T11:42:21,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:42:21,845 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 2026-02-10T11:42:21,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:42:21,849 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 2026-02-10T11:42:21,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:42:21,852 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 2026-02-10T11:42:21,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:42:21,856 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 2026-02-10T11:42:21,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:42:21,859 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 2026-02-10T11:42:21,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:42:21,863 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 2026-02-10T11:42:21,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:42:21,867 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 2026-02-10T11:42:21,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:42:21,870 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 2026-02-10T11:42:21,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:42:21,873 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 2026-02-10T11:42:21,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:42:21,877 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 2026-02-10T11:42:21,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:42:21,880 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 2026-02-10T11:42:21,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:42:21,884 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 2026-02-10T11:42:21,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:42:21,887 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 2026-02-10T11:42:21,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:42:21,891 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 2026-02-10T11:42:21,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:42:21,895 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 2026-02-10T11:42:21,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:42:21,898 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 2026-02-10T11:42:21,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:42:21,902 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 2026-02-10T11:42:21,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:42:21,905 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 2026-02-10T11:42:21,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:42:21,909 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 2026-02-10T11:42:21,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:42:21,913 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 2026-02-10T11:42:21,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:42:21,916 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 2026-02-10T11:42:21,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:42:21,920 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 2026-02-10T11:42:21,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:42:21,923 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 2026-02-10T11:42:21,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:42:21,927 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 2026-02-10T11:42:21,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:42:21,930 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 2026-02-10T11:42:21,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:42:21,934 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 2026-02-10T11:42:21,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:42:21,937 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 2026-02-10T11:42:21,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:42:21,941 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 2026-02-10T11:42:21,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:42:21,945 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 2026-02-10T11:42:21,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:42:21,948 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 2026-02-10T11:42:21,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:42:21,952 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 2026-02-10T11:42:21,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:42:21,955 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 2026-02-10T11:42:21,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:42:21,959 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 2026-02-10T11:42:21,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:42:21,962 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 2026-02-10T11:42:21,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:42:21,966 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 2026-02-10T11:42:21,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:42:21,969 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 2026-02-10T11:42:21,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:42:21,973 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 2026-02-10T11:42:21,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:42:21,977 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 2026-02-10T11:42:21,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:42:21,980 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 2026-02-10T11:42:21,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:42:21,984 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 2026-02-10T11:42:21,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:42:21,987 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 2026-02-10T11:42:21,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:42:21,991 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 2026-02-10T11:42:21,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:42:21,995 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 2026-02-10T11:42:21,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:42:21,998 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 2026-02-10T11:42:22,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:42:22,001 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 2026-02-10T11:42:22,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:42:22,005 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 2026-02-10T11:42:22,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:42:22,009 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 2026-02-10T11:42:22,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:42:22,012 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 2026-02-10T11:42:22,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:42:22,016 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 2026-02-10T11:42:22,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:42:22,020 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 2026-02-10T11:42:22,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:42:22,024 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 2026-02-10T11:42:22,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:42:22,027 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 2026-02-10T11:42:22,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:42:22,031 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 2026-02-10T11:42:22,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:42:22,034 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 2026-02-10T11:42:22,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6 2026-02-10T11:42:22,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3 2026-02-10T11:42:22,039 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 2026-02-10T11:42:22,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4 2026-02-10T11:42:22,043 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 2026-02-10T11:42:22,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:42:22,046 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 2026-02-10T11:42:22,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6 2026-02-10T11:42:22,050 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 2026-02-10T11:42:22,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3 2026-02-10T11:42:22,053 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 2026-02-10T11:42:22,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6 2026-02-10T11:42:22,056 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 2026-02-10T11:42:22,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3 2026-02-10T11:42:22,060 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 2026-02-10T11:42:22,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5 2026-02-10T11:42:22,063 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 2026-02-10T11:42:22,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6 2026-02-10T11:42:22,067 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 2026-02-10T11:42:22,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2 2026-02-10T11:42:22,070 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 2026-02-10T11:42:22,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3 2026-02-10T11:42:22,074 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 2026-02-10T11:42:22,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,078 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 2026-02-10T11:42:22,080 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 2026-02-10T11:42:22,082 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 2026-02-10T11:42:22,083 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 2026-02-10T11:42:22,085 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 2026-02-10T11:42:22,087 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 2026-02-10T11:42:22,089 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 2026-02-10T11:42:22,090 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 2026-02-10T11:42:22,092 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 2026-02-10T11:42:22,094 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 2026-02-10T11:42:22,095 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 2026-02-10T11:42:22,097 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 2026-02-10T11:42:22,099 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 2026-02-10T11:42:22,101 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 2026-02-10T11:42:22,102 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 2026-02-10T11:42:22,104 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 2026-02-10T11:42:22,106 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 2026-02-10T11:42:22,108 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 2026-02-10T11:42:22,110 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 2026-02-10T11:42:22,112 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 2026-02-10T11:42:22,114 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 2026-02-10T11:42:22,115 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 2026-02-10T11:42:22,117 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 2026-02-10T11:42:22,119 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 2026-02-10T11:42:22,121 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 2026-02-10T11:42:22,123 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 2026-02-10T11:42:22,124 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 2026-02-10T11:42:22,126 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 2026-02-10T11:42:22,128 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 2026-02-10T11:42:22,130 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 2026-02-10T11:42:22,131 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 2026-02-10T11:42:22,133 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 2026-02-10T11:42:22,135 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 2026-02-10T11:42:22,137 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 2026-02-10T11:42:22,139 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 2026-02-10T11:42:22,141 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 2026-02-10T11:42:22,143 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 2026-02-10T11:42:22,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,148 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PCONF21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,151 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,153 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,156 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_UPU23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,157 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,159 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,161 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,162 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,164 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,166 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,168 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,170 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,172 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SCONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,173 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,175 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,177 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,179 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,181 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,182 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,184 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISOL24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,186 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,188 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,190 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,191 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,193 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,195 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,196 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,198 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,200 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,201 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,203 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IDISP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,205 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SLIM05.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,207 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,209 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,211 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,212 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,214 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MCONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,216 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,218 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DARC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,220 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_NBPRC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,222 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,224 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,226 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,228 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,230 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,231 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,233 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,235 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,236 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,238 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_C60ISO.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,240 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,241 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,243 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,245 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,247 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,248 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:22,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05 2026-02-10T11:42:22,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,255 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,258 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,260 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,261 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,263 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,265 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,267 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,268 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,270 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,272 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,273 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,275 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,277 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,279 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,280 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,282 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,284 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,286 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,287 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,289 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,291 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,293 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:22,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES 2026-02-10T11:42:22,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18 2026-02-10T11:42:22,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2 2026-02-10T11:42:22,300 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 2026-02-10T11:42:22,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr 2026-02-10T11:42:22,304 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 2026-02-10T11:42:22,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr 2026-02-10T11:42:22,307 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 2026-02-10T11:42:22,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2 2026-02-10T11:42:22,310 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 2026-02-10T11:42:22,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe 2026-02-10T11:42:22,314 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 2026-02-10T11:42:22,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3 2026-02-10T11:42:22,317 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 2026-02-10T11:42:22,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2 2026-02-10T11:42:22,321 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 2026-02-10T11:42:22,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:42:22,324 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 2026-02-10T11:42:22,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6 2026-02-10T11:42:22,327 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 2026-02-10T11:42:22,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe 2026-02-10T11:42:22,331 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 2026-02-10T11:42:22,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3 2026-02-10T11:42:22,334 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 2026-02-10T11:42:22,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf 2026-02-10T11:42:22,338 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 2026-02-10T11:42:22,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6 2026-02-10T11:42:22,341 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 2026-02-10T11:42:22,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr 2026-02-10T11:42:22,345 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 2026-02-10T11:42:22,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr 2026-02-10T11:42:22,348 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 2026-02-10T11:42:22,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne 2026-02-10T11:42:22,352 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 2026-02-10T11:42:22,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:42:22,355 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 2026-02-10T11:42:22,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3 2026-02-10T11:42:22,358 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 2026-02-10T11:42:22,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz 2026-02-10T11:42:22,362 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 2026-02-10T11:42:22,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4 2026-02-10T11:42:22,365 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 2026-02-10T11:42:22,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar 2026-02-10T11:42:22,368 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 2026-02-10T11:42:22,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:42:22,372 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 2026-02-10T11:42:22,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2 2026-02-10T11:42:22,375 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 2026-02-10T11:42:22,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4 2026-02-10T11:42:22,379 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 2026-02-10T11:42:22,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:42:22,382 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 2026-02-10T11:42:22,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18 2026-02-10T11:42:22,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1 2026-02-10T11:42:22,389 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 2026-02-10T11:42:22,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:42:22,392 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 2026-02-10T11:42:22,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2 2026-02-10T11:42:22,395 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 2026-02-10T11:42:22,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:42:22,399 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 2026-02-10T11:42:22,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:42:22,402 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 2026-02-10T11:42:22,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8 2026-02-10T11:42:22,406 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 2026-02-10T11:42:22,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9 2026-02-10T11:42:22,409 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 2026-02-10T11:42:22,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1 2026-02-10T11:42:22,412 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 2026-02-10T11:42:22,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2 2026-02-10T11:42:22,416 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 2026-02-10T11:42:22,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:42:22,419 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 2026-02-10T11:42:22,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7 2026-02-10T11:42:22,423 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 2026-02-10T11:42:22,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5 2026-02-10T11:42:22,426 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 2026-02-10T11:42:22,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:42:22,429 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 2026-02-10T11:42:22,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5 2026-02-10T11:42:22,433 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 2026-02-10T11:42:22,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4 2026-02-10T11:42:22,436 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 2026-02-10T11:42:22,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o 2026-02-10T11:42:22,439 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 2026-02-10T11:42:22,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:42:22,443 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 2026-02-10T11:42:22,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9 2026-02-10T11:42:22,446 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 2026-02-10T11:42:22,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3 2026-02-10T11:42:22,450 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 2026-02-10T11:42:22,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3 2026-02-10T11:42:22,453 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 2026-02-10T11:42:22,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:42:22,457 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 2026-02-10T11:42:22,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4 2026-02-10T11:42:22,461 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 2026-02-10T11:42:22,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:42:22,464 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 2026-02-10T11:42:22,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8 2026-02-10T11:42:22,468 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 2026-02-10T11:42:22,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6 2026-02-10T11:42:22,471 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 2026-02-10T11:42:22,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7 2026-02-10T11:42:22,475 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 2026-02-10T11:42:22,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6 2026-02-10T11:42:22,478 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 2026-02-10T11:42:22,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:42:22,481 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 2026-02-10T11:42:22,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21 2026-02-10T11:42:22,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1 2026-02-10T11:42:22,487 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 2026-02-10T11:42:22,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A 2026-02-10T11:42:22,491 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 2026-02-10T11:42:22,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B 2026-02-10T11:42:22,494 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 2026-02-10T11:42:22,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A 2026-02-10T11:42:22,498 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 2026-02-10T11:42:22,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B 2026-02-10T11:42:22,501 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 2026-02-10T11:42:22,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B 2026-02-10T11:42:22,505 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 2026-02-10T11:42:22,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4 2026-02-10T11:42:22,509 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 2026-02-10T11:42:22,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A 2026-02-10T11:42:22,512 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 2026-02-10T11:42:22,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A 2026-02-10T11:42:22,516 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 2026-02-10T11:42:22,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12 2026-02-10T11:42:22,520 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 2026-02-10T11:42:22,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A 2026-02-10T11:42:22,524 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 2026-02-10T11:42:22,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18 2026-02-10T11:42:22,529 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 2026-02-10T11:42:22,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A 2026-02-10T11:42:22,534 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 2026-02-10T11:42:22,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13 2026-02-10T11:42:22,538 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 2026-02-10T11:42:22,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A 2026-02-10T11:42:22,542 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 2026-02-10T11:42:22,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B 2026-02-10T11:42:22,545 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 2026-02-10T11:42:22,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A 2026-02-10T11:42:22,549 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 2026-02-10T11:42:22,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A 2026-02-10T11:42:22,552 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 2026-02-10T11:42:22,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B 2026-02-10T11:42:22,556 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 2026-02-10T11:42:22,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A 2026-02-10T11:42:22,559 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 2026-02-10T11:42:22,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A 2026-02-10T11:42:22,562 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 2026-02-10T11:42:22,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20 2026-02-10T11:42:22,566 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 2026-02-10T11:42:22,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3 2026-02-10T11:42:22,570 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 2026-02-10T11:42:22,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A 2026-02-10T11:42:22,573 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 2026-02-10T11:42:22,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B 2026-02-10T11:42:22,577 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 2026-02-10T11:42:22,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A 2026-02-10T11:42:22,580 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 2026-02-10T11:42:22,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B 2026-02-10T11:42:22,584 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 2026-02-10T11:42:22,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A 2026-02-10T11:42:22,588 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 2026-02-10T11:42:22,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B 2026-02-10T11:42:22,592 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 2026-02-10T11:42:22,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16 2026-02-10T11:42:22,595 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 2026-02-10T11:42:22,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B 2026-02-10T11:42:22,598 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 2026-02-10T11:42:22,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B 2026-02-10T11:42:22,602 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 2026-02-10T11:42:22,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A 2026-02-10T11:42:22,605 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 2026-02-10T11:42:22,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B 2026-02-10T11:42:22,608 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 2026-02-10T11:42:22,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A 2026-02-10T11:42:22,612 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 2026-02-10T11:42:22,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B 2026-02-10T11:42:22,615 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 2026-02-10T11:42:22,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B 2026-02-10T11:42:22,619 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 2026-02-10T11:42:22,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9 2026-02-10T11:42:22,622 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 2026-02-10T11:42:22,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A 2026-02-10T11:42:22,625 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 2026-02-10T11:42:22,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A 2026-02-10T11:42:22,628 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 2026-02-10T11:42:22,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A 2026-02-10T11:42:22,632 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 2026-02-10T11:42:22,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7 2026-02-10T11:42:22,635 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 2026-02-10T11:42:22,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10 2026-02-10T11:42:22,639 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 2026-02-10T11:42:22,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B 2026-02-10T11:42:22,642 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 2026-02-10T11:42:22,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6 2026-02-10T11:42:22,645 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 2026-02-10T11:42:22,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B 2026-02-10T11:42:22,648 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 2026-02-10T11:42:22,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A 2026-02-10T11:42:22,652 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 2026-02-10T11:42:22,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A 2026-02-10T11:42:22,655 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 2026-02-10T11:42:22,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B 2026-02-10T11:42:22,659 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 2026-02-10T11:42:22,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B 2026-02-10T11:42:22,662 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 2026-02-10T11:42:22,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B 2026-02-10T11:42:22,665 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 2026-02-10T11:42:22,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11 2026-02-10T11:42:22,669 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 2026-02-10T11:42:22,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B 2026-02-10T11:42:22,672 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 2026-02-10T11:42:22,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5 2026-02-10T11:42:22,675 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 2026-02-10T11:42:22,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15 2026-02-10T11:42:22,679 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 2026-02-10T11:42:22,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B 2026-02-10T11:42:22,682 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 2026-02-10T11:42:22,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17 2026-02-10T11:42:22,686 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 2026-02-10T11:42:22,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21 2026-02-10T11:42:22,689 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 2026-02-10T11:42:22,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B 2026-02-10T11:42:22,693 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 2026-02-10T11:42:22,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2 2026-02-10T11:42:22,696 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 2026-02-10T11:42:22,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14 2026-02-10T11:42:22,700 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 2026-02-10T11:42:22,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19 2026-02-10T11:42:22,703 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 2026-02-10T11:42:22,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8 2026-02-10T11:42:22,707 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 2026-02-10T11:42:22,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI 2026-02-10T11:42:22,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts 2026-02-10T11:42:22,712 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 2026-02-10T11:42:22,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1 2026-02-10T11:42:22,716 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 2026-02-10T11:42:22,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6 2026-02-10T11:42:22,719 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 2026-02-10T11:42:22,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:42:22,723 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 2026-02-10T11:42:22,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts 2026-02-10T11:42:22,727 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 2026-02-10T11:42:22,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6 2026-02-10T11:42:22,730 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 2026-02-10T11:42:22,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r 2026-02-10T11:42:22,734 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 2026-02-10T11:42:22,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:42:22,737 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 2026-02-10T11:42:22,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:42:22,741 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 2026-02-10T11:42:22,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:42:22,745 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 2026-02-10T11:42:22,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:42:22,748 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 2026-02-10T11:42:22,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7 2026-02-10T11:42:22,752 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 2026-02-10T11:42:22,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:42:22,755 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 2026-02-10T11:42:22,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r 2026-02-10T11:42:22,758 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 2026-02-10T11:42:22,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5 2026-02-10T11:42:22,762 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 2026-02-10T11:42:22,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r 2026-02-10T11:42:22,765 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 2026-02-10T11:42:22,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3 2026-02-10T11:42:22,769 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 2026-02-10T11:42:22,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:42:22,772 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 2026-02-10T11:42:22,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:42:22,776 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 2026-02-10T11:42:22,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:42:22,780 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 2026-02-10T11:42:22,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts 2026-02-10T11:42:22,783 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 2026-02-10T11:42:22,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:42:22,787 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 2026-02-10T11:42:22,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts 2026-02-10T11:42:22,790 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 2026-02-10T11:42:22,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5 2026-02-10T11:42:22,794 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 2026-02-10T11:42:22,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2 2026-02-10T11:42:22,797 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 2026-02-10T11:42:22,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:42:22,801 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 2026-02-10T11:42:22,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3 2026-02-10T11:42:22,804 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 2026-02-10T11:42:22,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11 2026-02-10T11:42:22,808 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 2026-02-10T11:42:22,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:42:22,811 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 2026-02-10T11:42:22,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts 2026-02-10T11:42:22,815 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 2026-02-10T11:42:22,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts 2026-02-10T11:42:22,818 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 2026-02-10T11:42:22,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:42:22,822 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 2026-02-10T11:42:22,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:42:22,826 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 2026-02-10T11:42:22,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:42:22,829 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 2026-02-10T11:42:22,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts 2026-02-10T11:42:22,833 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 2026-02-10T11:42:22,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r 2026-02-10T11:42:22,837 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 2026-02-10T11:42:22,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:42:22,840 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 2026-02-10T11:42:22,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r 2026-02-10T11:42:22,844 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 2026-02-10T11:42:22,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:42:22,847 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 2026-02-10T11:42:22,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts 2026-02-10T11:42:22,851 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 2026-02-10T11:42:22,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4 2026-02-10T11:42:22,854 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 2026-02-10T11:42:22,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8 2026-02-10T11:42:22,857 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 2026-02-10T11:42:22,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:42:22,861 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 2026-02-10T11:42:22,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:42:22,864 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 2026-02-10T11:42:22,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4 2026-02-10T11:42:22,868 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 2026-02-10T11:42:22,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9 2026-02-10T11:42:22,872 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 2026-02-10T11:42:22,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r 2026-02-10T11:42:22,876 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 2026-02-10T11:42:22,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:42:22,879 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 2026-02-10T11:42:22,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts 2026-02-10T11:42:22,882 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 2026-02-10T11:42:22,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7 2026-02-10T11:42:22,886 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 2026-02-10T11:42:22,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:42:22,889 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 2026-02-10T11:42:22,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8 2026-02-10T11:42:22,893 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 2026-02-10T11:42:22,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:42:22,896 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 2026-02-10T11:42:22,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10 2026-02-10T11:42:22,899 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 2026-02-10T11:42:22,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:42:22,903 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 2026-02-10T11:42:22,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r 2026-02-10T11:42:22,907 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 2026-02-10T11:42:22,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r 2026-02-10T11:42:22,911 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 2026-02-10T11:42:22,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9 2026-02-10T11:42:22,915 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 2026-02-10T11:42:22,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:42:22,918 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 2026-02-10T11:42:22,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1 2026-02-10T11:42:22,922 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 2026-02-10T11:42:22,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2 2026-02-10T11:42:22,925 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 2026-02-10T11:42:22,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF 2026-02-10T11:42:22,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13 2026-02-10T11:42:22,930 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 2026-02-10T11:42:22,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15 2026-02-10T11:42:22,934 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 2026-02-10T11:42:22,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8 2026-02-10T11:42:22,937 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 2026-02-10T11:42:22,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2 2026-02-10T11:42:22,941 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 2026-02-10T11:42:22,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1 2026-02-10T11:42:22,944 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 2026-02-10T11:42:22,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11 2026-02-10T11:42:22,948 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 2026-02-10T11:42:22,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4 2026-02-10T11:42:22,951 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 2026-02-10T11:42:22,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7 2026-02-10T11:42:22,956 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 2026-02-10T11:42:22,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3 2026-02-10T11:42:22,959 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 2026-02-10T11:42:22,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12 2026-02-10T11:42:22,963 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 2026-02-10T11:42:22,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4 2026-02-10T11:42:22,966 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 2026-02-10T11:42:22,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5 2026-02-10T11:42:22,970 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 2026-02-10T11:42:22,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6 2026-02-10T11:42:22,973 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 2026-02-10T11:42:22,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1 2026-02-10T11:42:22,976 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 2026-02-10T11:42:22,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10 2026-02-10T11:42:22,980 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 2026-02-10T11:42:22,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3 2026-02-10T11:42:22,983 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 2026-02-10T11:42:22,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14 2026-02-10T11:42:22,987 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 2026-02-10T11:42:22,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2 2026-02-10T11:42:22,991 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 2026-02-10T11:42:22,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9 2026-02-10T11:42:22,996 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 2026-02-10T11:42:22,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF 2026-02-10T11:42:23,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1 2026-02-10T11:42:23,002 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 2026-02-10T11:42:23,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36 2026-02-10T11:42:23,006 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 2026-02-10T11:42:23,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4 2026-02-10T11:42:23,010 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 2026-02-10T11:42:23,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12 2026-02-10T11:42:23,013 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 2026-02-10T11:42:23,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27 2026-02-10T11:42:23,017 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 2026-02-10T11:42:23,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18 2026-02-10T11:42:23,020 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 2026-02-10T11:42:23,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34 2026-02-10T11:42:23,023 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 2026-02-10T11:42:23,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13 2026-02-10T11:42:23,027 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 2026-02-10T11:42:23,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48 2026-02-10T11:42:23,031 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 2026-02-10T11:42:23,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45 2026-02-10T11:42:23,034 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 2026-02-10T11:42:23,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46 2026-02-10T11:42:23,038 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 2026-02-10T11:42:23,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38 2026-02-10T11:42:23,041 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 2026-02-10T11:42:23,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49 2026-02-10T11:42:23,045 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 2026-02-10T11:42:23,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20 2026-02-10T11:42:23,049 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 2026-02-10T11:42:23,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3 2026-02-10T11:42:23,053 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 2026-02-10T11:42:23,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41 2026-02-10T11:42:23,057 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 2026-02-10T11:42:23,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16 2026-02-10T11:42:23,062 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 2026-02-10T11:42:23,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44 2026-02-10T11:42:23,067 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 2026-02-10T11:42:23,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25 2026-02-10T11:42:23,072 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 2026-02-10T11:42:23,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30 2026-02-10T11:42:23,076 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 2026-02-10T11:42:23,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9 2026-02-10T11:42:23,079 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 2026-02-10T11:42:23,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43 2026-02-10T11:42:23,083 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 2026-02-10T11:42:23,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37 2026-02-10T11:42:23,086 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 2026-02-10T11:42:23,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22 2026-02-10T11:42:23,090 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 2026-02-10T11:42:23,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7 2026-02-10T11:42:23,093 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 2026-02-10T11:42:23,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23 2026-02-10T11:42:23,097 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 2026-02-10T11:42:23,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10 2026-02-10T11:42:23,101 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 2026-02-10T11:42:23,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47 2026-02-10T11:42:23,104 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 2026-02-10T11:42:23,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28 2026-02-10T11:42:23,107 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 2026-02-10T11:42:23,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26 2026-02-10T11:42:23,111 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 2026-02-10T11:42:23,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6 2026-02-10T11:42:23,114 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 2026-02-10T11:42:23,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40 2026-02-10T11:42:23,118 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 2026-02-10T11:42:23,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50 2026-02-10T11:42:23,121 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 2026-02-10T11:42:23,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51 2026-02-10T11:42:23,125 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 2026-02-10T11:42:23,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11 2026-02-10T11:42:23,128 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 2026-02-10T11:42:23,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32 2026-02-10T11:42:23,132 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 2026-02-10T11:42:23,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5 2026-02-10T11:42:23,136 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 2026-02-10T11:42:23,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24 2026-02-10T11:42:23,139 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 2026-02-10T11:42:23,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15 2026-02-10T11:42:23,142 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 2026-02-10T11:42:23,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17 2026-02-10T11:42:23,146 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 2026-02-10T11:42:23,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21 2026-02-10T11:42:23,150 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 2026-02-10T11:42:23,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52 2026-02-10T11:42:23,153 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 2026-02-10T11:42:23,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42 2026-02-10T11:42:23,157 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 2026-02-10T11:42:23,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2 2026-02-10T11:42:23,160 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 2026-02-10T11:42:23,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39 2026-02-10T11:42:23,164 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 2026-02-10T11:42:23,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35 2026-02-10T11:42:23,167 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 2026-02-10T11:42:23,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14 2026-02-10T11:42:23,171 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 2026-02-10T11:42:23,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19 2026-02-10T11:42:23,175 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 2026-02-10T11:42:23,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33 2026-02-10T11:42:23,178 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 2026-02-10T11:42:23,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29 2026-02-10T11:42:23,182 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 2026-02-10T11:42:23,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8 2026-02-10T11:42:23,186 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 2026-02-10T11:42:23,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31 2026-02-10T11:42:23,189 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 2026-02-10T11:42:23,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6 2026-02-10T11:42:23,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A 2026-02-10T11:42:23,195 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 2026-02-10T11:42:23,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A 2026-02-10T11:42:23,198 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 2026-02-10T11:42:23,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27 2026-02-10T11:42:23,201 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 2026-02-10T11:42:23,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B 2026-02-10T11:42:23,205 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 2026-02-10T11:42:23,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A 2026-02-10T11:42:23,208 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 2026-02-10T11:42:23,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B 2026-02-10T11:42:23,212 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 2026-02-10T11:42:23,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A 2026-02-10T11:42:23,215 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 2026-02-10T11:42:23,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25 2026-02-10T11:42:23,218 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 2026-02-10T11:42:23,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22 2026-02-10T11:42:23,222 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 2026-02-10T11:42:23,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23 2026-02-10T11:42:23,225 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 2026-02-10T11:42:23,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A 2026-02-10T11:42:23,229 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 2026-02-10T11:42:23,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A 2026-02-10T11:42:23,232 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 2026-02-10T11:42:23,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B 2026-02-10T11:42:23,236 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 2026-02-10T11:42:23,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26 2026-02-10T11:42:23,239 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 2026-02-10T11:42:23,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B 2026-02-10T11:42:23,243 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 2026-02-10T11:42:23,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24 2026-02-10T11:42:23,247 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 2026-02-10T11:42:23,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B 2026-02-10T11:42:23,251 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 2026-02-10T11:42:23,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B 2026-02-10T11:42:23,254 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 2026-02-10T11:42:23,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8 2026-02-10T11:42:23,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me 2026-02-10T11:42:23,259 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 2026-02-10T11:42:23,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+ 2026-02-10T11:42:23,263 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+ 2026-02-10T11:42:23,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8 2026-02-10T11:42:23,266 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 2026-02-10T11:42:23,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+ 2026-02-10T11:42:23,270 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+ 2026-02-10T11:42:23,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch 2026-02-10T11:42:23,274 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 2026-02-10T11:42:23,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:42:23,277 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 2026-02-10T11:42:23,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c 2026-02-10T11:42:23,281 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 2026-02-10T11:42:23,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:42:23,285 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 2026-02-10T11:42:23,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:42:23,288 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 2026-02-10T11:42:23,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me 2026-02-10T11:42:23,292 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 2026-02-10T11:42:23,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h 2026-02-10T11:42:23,295 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 2026-02-10T11:42:23,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2 2026-02-10T11:42:23,299 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 2026-02-10T11:42:23,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4 2026-02-10T11:42:23,302 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 2026-02-10T11:42:23,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2 2026-02-10T11:42:23,306 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 2026-02-10T11:42:23,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2 2026-02-10T11:42:23,309 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 2026-02-10T11:42:23,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8 2026-02-10T11:42:23,313 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 2026-02-10T11:42:23,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:42:23,317 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 2026-02-10T11:42:23,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO 2026-02-10T11:42:23,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1 2026-02-10T11:42:23,322 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 2026-02-10T11:42:23,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4 2026-02-10T11:42:23,327 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 2026-02-10T11:42:23,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3 2026-02-10T11:42:23,330 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 2026-02-10T11:42:23,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9 2026-02-10T11:42:23,334 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 2026-02-10T11:42:23,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7 2026-02-10T11:42:23,337 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 2026-02-10T11:42:23,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10 2026-02-10T11:42:23,341 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 2026-02-10T11:42:23,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6 2026-02-10T11:42:23,344 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 2026-02-10T11:42:23,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5 2026-02-10T11:42:23,349 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 2026-02-10T11:42:23,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2 2026-02-10T11:42:23,353 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 2026-02-10T11:42:23,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8 2026-02-10T11:42:23,358 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 2026-02-10T11:42:23,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76 2026-02-10T11:42:23,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts 2026-02-10T11:42:23,367 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 2026-02-10T11:42:23,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20 2026-02-10T11:42:23,372 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 2026-02-10T11:42:23,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8 2026-02-10T11:42:23,376 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 2026-02-10T11:42:23,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh 2026-02-10T11:42:23,380 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 2026-02-10T11:42:23,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc 2026-02-10T11:42:23,383 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 2026-02-10T11:42:23,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh- 2026-02-10T11:42:23,387 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- 2026-02-10T11:42:23,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19 2026-02-10T11:42:23,390 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 2026-02-10T11:42:23,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts 2026-02-10T11:42:23,394 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 2026-02-10T11:42:23,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:42:23,397 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 2026-02-10T11:42:23,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf 2026-02-10T11:42:23,400 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 2026-02-10T11:42:23,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co 2026-02-10T11:42:23,404 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 2026-02-10T11:42:23,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots 2026-02-10T11:42:23,407 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 2026-02-10T11:42:23,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:42:23,411 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 2026-02-10T11:42:23,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07 2026-02-10T11:42:23,414 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 2026-02-10T11:42:23,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts 2026-02-10T11:42:23,418 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 2026-02-10T11:42:23,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2 2026-02-10T11:42:23,421 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 2026-02-10T11:42:23,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:42:23,425 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 2026-02-10T11:42:23,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4 2026-02-10T11:42:23,428 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 2026-02-10T11:42:23,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f- 2026-02-10T11:42:23,432 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- 2026-02-10T11:42:23,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O 2026-02-10T11:42:23,435 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 2026-02-10T11:42:23,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2 2026-02-10T11:42:23,439 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 2026-02-10T11:42:23,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2 2026-02-10T11:42:23,442 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 2026-02-10T11:42:23,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3 2026-02-10T11:42:23,446 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 2026-02-10T11:42:23,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17 2026-02-10T11:42:23,449 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 2026-02-10T11:42:23,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22 2026-02-10T11:42:23,453 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 2026-02-10T11:42:23,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14 2026-02-10T11:42:23,456 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 2026-02-10T11:42:23,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13 2026-02-10T11:42:23,460 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 2026-02-10T11:42:23,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H 2026-02-10T11:42:23,463 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 2026-02-10T11:42:23,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:42:23,467 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 2026-02-10T11:42:23,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS 2026-02-10T11:42:23,470 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 2026-02-10T11:42:23,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl- 2026-02-10T11:42:23,474 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- 2026-02-10T11:42:23,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:42:23,477 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 2026-02-10T11:42:23,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S 2026-02-10T11:42:23,481 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 2026-02-10T11:42:23,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf 2026-02-10T11:42:23,484 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 2026-02-10T11:42:23,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04 2026-02-10T11:42:23,488 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 2026-02-10T11:42:23,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3 2026-02-10T11:42:23,491 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 2026-02-10T11:42:23,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02 2026-02-10T11:42:23,495 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 2026-02-10T11:42:23,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco 2026-02-10T11:42:23,498 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 2026-02-10T11:42:23,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16 2026-02-10T11:42:23,502 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 2026-02-10T11:42:23,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h 2026-02-10T11:42:23,506 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 2026-02-10T11:42:23,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18 2026-02-10T11:42:23,510 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 2026-02-10T11:42:23,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:42:23,514 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 2026-02-10T11:42:23,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6 2026-02-10T11:42:23,518 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 2026-02-10T11:42:23,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts 2026-02-10T11:42:23,521 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 2026-02-10T11:42:23,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4 2026-02-10T11:42:23,524 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 2026-02-10T11:42:23,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2 2026-02-10T11:42:23,528 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 2026-02-10T11:42:23,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11 2026-02-10T11:42:23,531 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 2026-02-10T11:42:23,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts 2026-02-10T11:42:23,535 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 2026-02-10T11:42:23,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts 2026-02-10T11:42:23,538 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 2026-02-10T11:42:23,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01 2026-02-10T11:42:23,541 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 2026-02-10T11:42:23,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10 2026-02-10T11:42:23,545 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 2026-02-10T11:42:23,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts 2026-02-10T11:42:23,548 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 2026-02-10T11:42:23,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH 2026-02-10T11:42:23,555 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 2026-02-10T11:42:23,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts 2026-02-10T11:42:23,558 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 2026-02-10T11:42:23,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2 2026-02-10T11:42:23,562 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 2026-02-10T11:42:23,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5 2026-02-10T11:42:23,567 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 2026-02-10T11:42:23,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12 2026-02-10T11:42:23,570 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 2026-02-10T11:42:23,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06 2026-02-10T11:42:23,573 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 2026-02-10T11:42:23,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh 2026-02-10T11:42:23,577 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 2026-02-10T11:42:23,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15 2026-02-10T11:42:23,581 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 2026-02-10T11:42:23,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7 2026-02-10T11:42:23,584 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 2026-02-10T11:42:23,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O 2026-02-10T11:42:23,588 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 2026-02-10T11:42:23,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08 2026-02-10T11:42:23,591 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 2026-02-10T11:42:23,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts 2026-02-10T11:42:23,594 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 2026-02-10T11:42:23,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05 2026-02-10T11:42:23,598 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 2026-02-10T11:42:23,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts 2026-02-10T11:42:23,601 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 2026-02-10T11:42:23,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f 2026-02-10T11:42:23,605 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 2026-02-10T11:42:23,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl 2026-02-10T11:42:23,608 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 2026-02-10T11:42:23,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2 2026-02-10T11:42:23,611 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 2026-02-10T11:42:23,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts 2026-02-10T11:42:23,615 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 2026-02-10T11:42:23,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts 2026-02-10T11:42:23,618 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 2026-02-10T11:42:23,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03 2026-02-10T11:42:23,621 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 2026-02-10T11:42:23,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts 2026-02-10T11:42:23,625 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 2026-02-10T11:42:23,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts 2026-02-10T11:42:23,628 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 2026-02-10T11:42:23,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts 2026-02-10T11:42:23,632 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 2026-02-10T11:42:23,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2 2026-02-10T11:42:23,635 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 2026-02-10T11:42:23,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o 2026-02-10T11:42:23,638 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 2026-02-10T11:42:23,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl 2026-02-10T11:42:23,642 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 2026-02-10T11:42:23,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f 2026-02-10T11:42:23,646 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 2026-02-10T11:42:23,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3 2026-02-10T11:42:23,649 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 2026-02-10T11:42:23,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21 2026-02-10T11:42:23,652 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 2026-02-10T11:42:23,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn 2026-02-10T11:42:23,656 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 2026-02-10T11:42:23,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl 2026-02-10T11:42:23,659 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 2026-02-10T11:42:23,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5 2026-02-10T11:42:23,663 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 2026-02-10T11:42:23,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH 2026-02-10T11:42:23,666 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 2026-02-10T11:42:23,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09 2026-02-10T11:42:23,670 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 2026-02-10T11:42:23,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12 2026-02-10T11:42:23,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL 2026-02-10T11:42:23,675 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 2026-02-10T11:42:23,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:42:23,679 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 2026-02-10T11:42:23,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:42:23,682 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 2026-02-10T11:42:23,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N 2026-02-10T11:42:23,686 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 2026-02-10T11:42:23,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:42:23,690 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 2026-02-10T11:42:23,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:42:23,693 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 2026-02-10T11:42:23,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:42:23,697 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 2026-02-10T11:42:23,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:42:23,700 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 2026-02-10T11:42:23,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:42:23,703 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 2026-02-10T11:42:23,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:42:23,707 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 2026-02-10T11:42:23,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:42:23,710 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 2026-02-10T11:42:23,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:42:23,713 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 2026-02-10T11:42:23,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O 2026-02-10T11:42:23,717 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 2026-02-10T11:42:23,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:42:23,720 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 2026-02-10T11:42:23,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N 2026-02-10T11:42:23,724 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 2026-02-10T11:42:23,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N 2026-02-10T11:42:23,727 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 2026-02-10T11:42:23,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:42:23,731 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 2026-02-10T11:42:23,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:42:23,734 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 2026-02-10T11:42:23,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL 2026-02-10T11:42:23,737 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 2026-02-10T11:42:23,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:42:23,741 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 2026-02-10T11:42:23,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:42:23,744 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 2026-02-10T11:42:23,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:42:23,748 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 2026-02-10T11:42:23,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:42:23,751 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 2026-02-10T11:42:23,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:42:23,755 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 2026-02-10T11:42:23,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL 2026-02-10T11:42:23,758 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 2026-02-10T11:42:23,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:42:23,762 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 2026-02-10T11:42:23,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O 2026-02-10T11:42:23,765 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 2026-02-10T11:42:23,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:42:23,769 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 2026-02-10T11:42:23,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O 2026-02-10T11:42:23,773 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 2026-02-10T11:42:23,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:42:23,776 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 2026-02-10T11:42:23,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:42:23,780 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 2026-02-10T11:42:23,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:42:23,783 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 2026-02-10T11:42:23,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:42:23,787 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 2026-02-10T11:42:23,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL 2026-02-10T11:42:23,790 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 2026-02-10T11:42:23,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N 2026-02-10T11:42:23,794 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 2026-02-10T11:42:23,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O 2026-02-10T11:42:23,798 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 2026-02-10T11:42:23,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43 2026-02-10T11:42:23,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37 2026-02-10T11:42:23,805 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 2026-02-10T11:42:23,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41 2026-02-10T11:42:23,808 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 2026-02-10T11:42:23,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25 2026-02-10T11:42:23,811 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 2026-02-10T11:42:23,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39 2026-02-10T11:42:23,815 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 2026-02-10T11:42:23,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45 2026-02-10T11:42:23,819 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 2026-02-10T11:42:23,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24 2026-02-10T11:42:23,822 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 2026-02-10T11:42:23,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23 2026-02-10T11:42:23,826 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 2026-02-10T11:42:23,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19 2026-02-10T11:42:23,829 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 2026-02-10T11:42:23,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21 2026-02-10T11:42:23,832 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 2026-02-10T11:42:23,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45 2026-02-10T11:42:23,836 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 2026-02-10T11:42:23,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26 2026-02-10T11:42:23,839 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 2026-02-10T11:42:23,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40 2026-02-10T11:42:23,843 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 2026-02-10T11:42:23,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44 2026-02-10T11:42:23,847 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 2026-02-10T11:42:23,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37 2026-02-10T11:42:23,850 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 2026-02-10T11:42:23,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9 2026-02-10T11:42:23,854 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 2026-02-10T11:42:23,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3 2026-02-10T11:42:23,857 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 2026-02-10T11:42:23,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6 2026-02-10T11:42:23,861 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 2026-02-10T11:42:23,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4 2026-02-10T11:42:23,864 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 2026-02-10T11:42:23,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20 2026-02-10T11:42:23,867 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 2026-02-10T11:42:23,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27 2026-02-10T11:42:23,871 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 2026-02-10T11:42:23,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43 2026-02-10T11:42:23,874 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 2026-02-10T11:42:23,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6 2026-02-10T11:42:23,878 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 2026-02-10T11:42:23,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36 2026-02-10T11:42:23,884 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 2026-02-10T11:42:23,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26 2026-02-10T11:42:23,887 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 2026-02-10T11:42:23,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36 2026-02-10T11:42:23,891 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 2026-02-10T11:42:23,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30 2026-02-10T11:42:23,894 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 2026-02-10T11:42:23,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22 2026-02-10T11:42:23,898 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 2026-02-10T11:42:23,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10 2026-02-10T11:42:23,902 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 2026-02-10T11:42:23,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20 2026-02-10T11:42:23,905 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 2026-02-10T11:42:23,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11 2026-02-10T11:42:23,909 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 2026-02-10T11:42:23,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7 2026-02-10T11:42:23,912 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 2026-02-10T11:42:23,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34 2026-02-10T11:42:23,916 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 2026-02-10T11:42:23,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7 2026-02-10T11:42:23,919 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 2026-02-10T11:42:23,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32 2026-02-10T11:42:23,923 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 2026-02-10T11:42:23,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30 2026-02-10T11:42:23,927 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 2026-02-10T11:42:23,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44 2026-02-10T11:42:23,930 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 2026-02-10T11:42:23,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42 2026-02-10T11:42:23,933 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 2026-02-10T11:42:23,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1 2026-02-10T11:42:23,937 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 2026-02-10T11:42:23,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12 2026-02-10T11:42:23,941 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 2026-02-10T11:42:23,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4 2026-02-10T11:42:23,944 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 2026-02-10T11:42:23,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43 2026-02-10T11:42:23,948 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 2026-02-10T11:42:23,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15 2026-02-10T11:42:23,951 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 2026-02-10T11:42:23,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15 2026-02-10T11:42:23,955 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 2026-02-10T11:42:23,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2 2026-02-10T11:42:23,959 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 2026-02-10T11:42:23,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22 2026-02-10T11:42:23,962 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 2026-02-10T11:42:23,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23 2026-02-10T11:42:23,965 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 2026-02-10T11:42:23,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38 2026-02-10T11:42:23,968 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 2026-02-10T11:42:23,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24 2026-02-10T11:42:23,972 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 2026-02-10T11:42:23,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16 2026-02-10T11:42:23,975 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 2026-02-10T11:42:23,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34 2026-02-10T11:42:23,979 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 2026-02-10T11:42:23,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10 2026-02-10T11:42:23,982 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 2026-02-10T11:42:23,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17 2026-02-10T11:42:23,986 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 2026-02-10T11:42:23,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17 2026-02-10T11:42:23,989 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 2026-02-10T11:42:23,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3 2026-02-10T11:42:23,993 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 2026-02-10T11:42:23,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35 2026-02-10T11:42:23,997 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 2026-02-10T11:42:23,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21 2026-02-10T11:42:24,000 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 2026-02-10T11:42:24,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27 2026-02-10T11:42:24,004 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 2026-02-10T11:42:24,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13 2026-02-10T11:42:24,007 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 2026-02-10T11:42:24,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5 2026-02-10T11:42:24,011 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 2026-02-10T11:42:24,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31 2026-02-10T11:42:24,014 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 2026-02-10T11:42:24,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35 2026-02-10T11:42:24,018 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 2026-02-10T11:42:24,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8 2026-02-10T11:42:24,021 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 2026-02-10T11:42:24,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29 2026-02-10T11:42:24,025 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 2026-02-10T11:42:24,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1 2026-02-10T11:42:24,028 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 2026-02-10T11:42:24,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2 2026-02-10T11:42:24,032 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 2026-02-10T11:42:24,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42 2026-02-10T11:42:24,036 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 2026-02-10T11:42:24,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5 2026-02-10T11:42:24,039 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 2026-02-10T11:42:24,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33 2026-02-10T11:42:24,043 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 2026-02-10T11:42:24,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38 2026-02-10T11:42:24,046 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 2026-02-10T11:42:24,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31 2026-02-10T11:42:24,049 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 2026-02-10T11:42:24,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33 2026-02-10T11:42:24,053 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 2026-02-10T11:42:24,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16 2026-02-10T11:42:24,056 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 2026-02-10T11:42:24,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9 2026-02-10T11:42:24,060 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 2026-02-10T11:42:24,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11 2026-02-10T11:42:24,063 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 2026-02-10T11:42:24,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12 2026-02-10T11:42:24,066 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 2026-02-10T11:42:24,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8 2026-02-10T11:42:24,070 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 2026-02-10T11:42:24,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29 2026-02-10T11:42:24,074 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 2026-02-10T11:42:24,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25 2026-02-10T11:42:24,078 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 2026-02-10T11:42:24,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13 2026-02-10T11:42:24,081 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 2026-02-10T11:42:24,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40 2026-02-10T11:42:24,085 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 2026-02-10T11:42:24,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28 2026-02-10T11:42:24,089 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 2026-02-10T11:42:24,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18 2026-02-10T11:42:24,092 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 2026-02-10T11:42:24,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41 2026-02-10T11:42:24,096 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 2026-02-10T11:42:24,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19 2026-02-10T11:42:24,099 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 2026-02-10T11:42:24,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18 2026-02-10T11:42:24,103 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 2026-02-10T11:42:24,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39 2026-02-10T11:42:24,106 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 2026-02-10T11:42:24,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32 2026-02-10T11:42:24,110 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 2026-02-10T11:42:24,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28 2026-02-10T11:42:24,113 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 2026-02-10T11:42:24,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10 2026-02-10T11:42:24,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo 2026-02-10T11:42:24,120 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 2026-02-10T11:42:24,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef 2026-02-10T11:42:24,123 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 2026-02-10T11:42:24,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:42:24,127 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 2026-02-10T11:42:24,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o 2026-02-10T11:42:24,131 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 2026-02-10T11:42:24,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be 2026-02-10T11:42:24,134 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 2026-02-10T11:42:24,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na 2026-02-10T11:42:24,138 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 2026-02-10T11:42:24,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf 2026-02-10T11:42:24,141 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 2026-02-10T11:42:24,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao 2026-02-10T11:42:24,145 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 2026-02-10T11:42:24,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h 2026-02-10T11:42:24,148 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 2026-02-10T11:42:24,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca 2026-02-10T11:42:24,152 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 2026-02-10T11:42:24,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li 2026-02-10T11:42:24,155 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 2026-02-10T11:42:24,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s 2026-02-10T11:42:24,159 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 2026-02-10T11:42:24,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k 2026-02-10T11:42:24,162 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 2026-02-10T11:42:24,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg 2026-02-10T11:42:24,165 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 2026-02-10T11:42:24,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf 2026-02-10T11:42:24,169 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 2026-02-10T11:42:24,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f 2026-02-10T11:42:24,172 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 2026-02-10T11:42:24,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:42:24,176 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 2026-02-10T11:42:24,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao 2026-02-10T11:42:24,180 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 2026-02-10T11:42:24,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio 2026-02-10T11:42:24,183 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 2026-02-10T11:42:24,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif 2026-02-10T11:42:24,187 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 2026-02-10T11:42:24,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC 2026-02-10T11:42:24,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1 2026-02-10T11:42:24,193 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 2026-02-10T11:42:24,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128 2026-02-10T11:42:24,196 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 2026-02-10T11:42:24,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18 2026-02-10T11:42:24,200 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 2026-02-10T11:42:24,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117 2026-02-10T11:42:24,204 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 2026-02-10T11:42:24,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97 2026-02-10T11:42:24,207 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 2026-02-10T11:42:24,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34 2026-02-10T11:42:24,210 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 2026-02-10T11:42:24,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13 2026-02-10T11:42:24,214 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 2026-02-10T11:42:24,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126 2026-02-10T11:42:24,217 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 2026-02-10T11:42:24,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94 2026-02-10T11:42:24,221 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 2026-02-10T11:42:24,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62 2026-02-10T11:42:24,226 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 2026-02-10T11:42:24,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82 2026-02-10T11:42:24,230 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 2026-02-10T11:42:24,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45 2026-02-10T11:42:24,233 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 2026-02-10T11:42:24,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104 2026-02-10T11:42:24,237 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 2026-02-10T11:42:24,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66 2026-02-10T11:42:24,240 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 2026-02-10T11:42:24,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61 2026-02-10T11:42:24,244 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 2026-02-10T11:42:24,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118 2026-02-10T11:42:24,248 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 2026-02-10T11:42:24,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59 2026-02-10T11:42:24,252 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 2026-02-10T11:42:24,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73 2026-02-10T11:42:24,255 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 2026-02-10T11:42:24,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100 2026-02-10T11:42:24,259 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 2026-02-10T11:42:24,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88 2026-02-10T11:42:24,263 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 2026-02-10T11:42:24,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25 2026-02-10T11:42:24,266 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 2026-02-10T11:42:24,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30 2026-02-10T11:42:24,270 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 2026-02-10T11:42:24,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67 2026-02-10T11:42:24,273 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 2026-02-10T11:42:24,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57 2026-02-10T11:42:24,277 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 2026-02-10T11:42:24,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56 2026-02-10T11:42:24,280 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 2026-02-10T11:42:24,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22 2026-02-10T11:42:24,283 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 2026-02-10T11:42:24,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23 2026-02-10T11:42:24,287 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 2026-02-10T11:42:24,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47 2026-02-10T11:42:24,290 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 2026-02-10T11:42:24,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26 2026-02-10T11:42:24,294 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 2026-02-10T11:42:24,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6 2026-02-10T11:42:24,297 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 2026-02-10T11:42:24,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40 2026-02-10T11:42:24,301 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 2026-02-10T11:42:24,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51 2026-02-10T11:42:24,304 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 2026-02-10T11:42:24,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11 2026-02-10T11:42:24,308 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 2026-02-10T11:42:24,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32 2026-02-10T11:42:24,312 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 2026-02-10T11:42:24,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106 2026-02-10T11:42:24,315 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 2026-02-10T11:42:24,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24 2026-02-10T11:42:24,319 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 2026-02-10T11:42:24,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121 2026-02-10T11:42:24,322 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 2026-02-10T11:42:24,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21 2026-02-10T11:42:24,325 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 2026-02-10T11:42:24,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60 2026-02-10T11:42:24,329 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 2026-02-10T11:42:24,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52 2026-02-10T11:42:24,333 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 2026-02-10T11:42:24,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39 2026-02-10T11:42:24,337 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 2026-02-10T11:42:24,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113 2026-02-10T11:42:24,340 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 2026-02-10T11:42:24,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14 2026-02-10T11:42:24,344 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 2026-02-10T11:42:24,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33 2026-02-10T11:42:24,347 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 2026-02-10T11:42:24,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68 2026-02-10T11:42:24,351 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 2026-02-10T11:42:24,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58 2026-02-10T11:42:24,354 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 2026-02-10T11:42:24,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8 2026-02-10T11:42:24,358 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 2026-02-10T11:42:24,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51 2026-02-10T11:42:24,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane 2026-02-10T11:42:24,366 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 2026-02-10T11:42:24,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:42:24,369 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 2026-02-10T11:42:24,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran 2026-02-10T11:42:24,373 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 2026-02-10T11:42:24,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:42:24,376 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:42:24,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:42:24,380 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 2026-02-10T11:42:24,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran 2026-02-10T11:42:24,383 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 2026-02-10T11:42:24,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:42:24,387 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 2026-02-10T11:42:24,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene 2026-02-10T11:42:24,390 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 2026-02-10T11:42:24,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene 2026-02-10T11:42:24,394 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 2026-02-10T11:42:24,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne 2026-02-10T11:42:24,398 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 2026-02-10T11:42:24,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN 2026-02-10T11:42:24,401 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 2026-02-10T11:42:24,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:42:24,405 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 2026-02-10T11:42:24,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane 2026-02-10T11:42:24,409 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 2026-02-10T11:42:24,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2 2026-02-10T11:42:24,412 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 2026-02-10T11:42:24,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol 2026-02-10T11:42:24,416 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 2026-02-10T11:42:24,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:42:24,420 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 2026-02-10T11:42:24,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O 2026-02-10T11:42:24,423 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 2026-02-10T11:42:24,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:42:24,426 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 2026-02-10T11:42:24,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:42:24,430 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 2026-02-10T11:42:24,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole 2026-02-10T11:42:24,435 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 2026-02-10T11:42:24,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:42:24,438 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 2026-02-10T11:42:24,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:42:24,442 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 2026-02-10T11:42:24,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:42:24,446 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 2026-02-10T11:42:24,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione 2026-02-10T11:42:24,449 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 2026-02-10T11:42:24,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN 2026-02-10T11:42:24,453 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 2026-02-10T11:42:24,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene 2026-02-10T11:42:24,459 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 2026-02-10T11:42:24,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:42:24,464 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 2026-02-10T11:42:24,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol 2026-02-10T11:42:24,470 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 2026-02-10T11:42:24,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S 2026-02-10T11:42:24,475 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 2026-02-10T11:42:24,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:42:24,478 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 2026-02-10T11:42:24,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO 2026-02-10T11:42:24,482 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 2026-02-10T11:42:24,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:42:24,485 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 2026-02-10T11:42:24,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:42:24,489 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 2026-02-10T11:42:24,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:42:24,493 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 2026-02-10T11:42:24,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine 2026-02-10T11:42:24,496 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 2026-02-10T11:42:24,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2 2026-02-10T11:42:24,500 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 2026-02-10T11:42:24,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:42:24,503 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 2026-02-10T11:42:24,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO 2026-02-10T11:42:24,506 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 2026-02-10T11:42:24,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:42:24,510 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 2026-02-10T11:42:24,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:42:24,513 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 2026-02-10T11:42:24,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:42:24,516 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 2026-02-10T11:42:24,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene 2026-02-10T11:42:24,520 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 2026-02-10T11:42:24,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane 2026-02-10T11:42:24,523 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 2026-02-10T11:42:24,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:42:24,527 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 2026-02-10T11:42:24,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:42:24,530 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 2026-02-10T11:42:24,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:42:24,534 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 2026-02-10T11:42:24,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2 2026-02-10T11:42:24,537 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 2026-02-10T11:42:24,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne 2026-02-10T11:42:24,541 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 2026-02-10T11:42:24,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne 2026-02-10T11:42:24,544 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 2026-02-10T11:42:24,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:42:24,548 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 2026-02-10T11:42:24,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene 2026-02-10T11:42:24,551 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 2026-02-10T11:42:24,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:42:24,555 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 2026-02-10T11:42:24,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine 2026-02-10T11:42:24,558 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 2026-02-10T11:42:24,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:42:24,562 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 2026-02-10T11:42:24,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene 2026-02-10T11:42:24,566 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 2026-02-10T11:42:24,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:42:24,569 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 2026-02-10T11:42:24,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:42:24,573 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 2026-02-10T11:42:24,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:42:24,577 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 2026-02-10T11:42:24,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:42:24,580 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 2026-02-10T11:42:24,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl 2026-02-10T11:42:24,584 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 2026-02-10T11:42:24,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:42:24,587 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 2026-02-10T11:42:24,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:42:24,591 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 2026-02-10T11:42:24,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne 2026-02-10T11:42:24,595 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 2026-02-10T11:42:24,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:42:24,598 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 2026-02-10T11:42:24,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol 2026-02-10T11:42:24,603 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 2026-02-10T11:42:24,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2 2026-02-10T11:42:24,607 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 2026-02-10T11:42:24,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene 2026-02-10T11:42:24,610 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 2026-02-10T11:42:24,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:42:24,613 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 2026-02-10T11:42:24,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O 2026-02-10T11:42:24,617 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 2026-02-10T11:42:24,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:42:24,621 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 2026-02-10T11:42:24,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:42:24,624 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 2026-02-10T11:42:24,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene 2026-02-10T11:42:24,627 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 2026-02-10T11:42:24,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane 2026-02-10T11:42:24,631 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 2026-02-10T11:42:24,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:42:24,635 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 2026-02-10T11:42:24,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:42:24,638 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 2026-02-10T11:42:24,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:42:24,642 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 2026-02-10T11:42:24,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH 2026-02-10T11:42:24,645 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 2026-02-10T11:42:24,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol 2026-02-10T11:42:24,648 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 2026-02-10T11:42:24,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2 2026-02-10T11:42:24,652 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 2026-02-10T11:42:24,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:42:24,655 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 2026-02-10T11:42:24,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:42:24,659 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 2026-02-10T11:42:24,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:42:24,662 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 2026-02-10T11:42:24,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:42:24,666 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 2026-02-10T11:42:24,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3 2026-02-10T11:42:24,669 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 2026-02-10T11:42:24,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:42:24,673 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 2026-02-10T11:42:24,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:42:24,676 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 2026-02-10T11:42:24,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:42:24,680 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 2026-02-10T11:42:24,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11 2026-02-10T11:42:24,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:42:24,685 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 2026-02-10T11:42:24,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:42:24,688 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 2026-02-10T11:42:24,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:42:24,692 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 2026-02-10T11:42:24,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:42:24,695 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 2026-02-10T11:42:24,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br 2026-02-10T11:42:24,699 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 2026-02-10T11:42:24,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:42:24,702 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 2026-02-10T11:42:24,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:42:24,706 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 2026-02-10T11:42:24,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:42:24,709 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 2026-02-10T11:42:24,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:42:24,712 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 2026-02-10T11:42:24,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:42:24,716 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 2026-02-10T11:42:24,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:42:24,719 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 2026-02-10T11:42:24,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:42:24,723 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 2026-02-10T11:42:24,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:42:24,726 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 2026-02-10T11:42:24,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:42:24,730 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 2026-02-10T11:42:24,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:42:24,733 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 2026-02-10T11:42:24,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:42:24,737 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 2026-02-10T11:42:24,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:42:24,741 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 2026-02-10T11:42:24,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:42:24,745 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 2026-02-10T11:42:24,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:42:24,748 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 2026-02-10T11:42:24,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:42:24,752 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 2026-02-10T11:42:24,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:42:24,756 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 2026-02-10T11:42:24,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:42:24,759 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 2026-02-10T11:42:24,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10 2026-02-10T11:42:24,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:42:24,764 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 2026-02-10T11:42:24,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:42:24,768 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+ 2026-02-10T11:42:24,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:42:24,772 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+ 2026-02-10T11:42:24,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s 2026-02-10T11:42:24,775 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 2026-02-10T11:42:24,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3 2026-02-10T11:42:24,779 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 2026-02-10T11:42:24,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:42:24,782 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 2026-02-10T11:42:24,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:42:24,785 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 2026-02-10T11:42:24,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be 2026-02-10T11:42:24,789 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 2026-02-10T11:42:24,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:42:24,792 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+ 2026-02-10T11:42:24,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:42:24,796 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+ 2026-02-10T11:42:24,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:42:24,799 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+ 2026-02-10T11:42:24,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3 2026-02-10T11:42:24,803 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 2026-02-10T11:42:24,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:42:24,806 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+ 2026-02-10T11:42:24,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg 2026-02-10T11:42:24,810 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 2026-02-10T11:42:24,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:42:24,813 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 2026-02-10T11:42:24,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:42:24,817 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+ 2026-02-10T11:42:24,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:42:24,820 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+ 2026-02-10T11:42:24,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:42:24,823 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+ 2026-02-10T11:42:24,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:42:24,827 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 2026-02-10T11:42:24,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:42:24,830 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+ 2026-02-10T11:42:24,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF 2026-02-10T11:42:24,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:42:24,836 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 2026-02-10T11:42:24,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1 2026-02-10T11:42:24,839 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 2026-02-10T11:42:24,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:42:24,843 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 2026-02-10T11:42:24,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:42:24,846 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 2026-02-10T11:42:24,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:42:24,850 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 2026-02-10T11:42:24,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:42:24,853 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 2026-02-10T11:42:24,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:42:24,857 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 2026-02-10T11:42:24,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:42:24,860 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 2026-02-10T11:42:24,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:42:24,864 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 2026-02-10T11:42:24,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:42:24,867 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 2026-02-10T11:42:24,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:42:24,871 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 2026-02-10T11:42:24,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:42:24,875 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 2026-02-10T11:42:24,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:42:24,878 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 2026-02-10T11:42:24,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:42:24,882 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 2026-02-10T11:42:24,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:42:24,885 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 2026-02-10T11:42:24,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:42:24,888 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 2026-02-10T11:42:24,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2 2026-02-10T11:42:24,892 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 2026-02-10T11:42:24,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:42:24,895 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 2026-02-10T11:42:24,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:42:24,899 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 2026-02-10T11:42:24,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:42:24,902 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 2026-02-10T11:42:24,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:42:24,906 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 2026-02-10T11:42:24,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:42:24,910 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 2026-02-10T11:42:24,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:42:24,914 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 2026-02-10T11:42:24,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:42:24,917 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 2026-02-10T11:42:24,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:42:24,921 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 2026-02-10T11:42:24,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:42:24,925 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 2026-02-10T11:42:24,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:42:24,928 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 2026-02-10T11:42:24,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13 2026-02-10T11:42:24,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2 2026-02-10T11:42:24,933 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 2026-02-10T11:42:24,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:42:24,937 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 2026-02-10T11:42:24,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:42:24,940 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 2026-02-10T11:42:24,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2 2026-02-10T11:42:24,944 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 2026-02-10T11:42:24,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4 2026-02-10T11:42:24,947 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 2026-02-10T11:42:24,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3 2026-02-10T11:42:24,951 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 2026-02-10T11:42:24,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4 2026-02-10T11:42:24,955 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 2026-02-10T11:42:24,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:42:24,959 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 2026-02-10T11:42:24,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:42:24,962 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 2026-02-10T11:42:24,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3 2026-02-10T11:42:24,966 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 2026-02-10T11:42:24,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:42:24,969 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 2026-02-10T11:42:24,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5 2026-02-10T11:42:24,972 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 2026-02-10T11:42:24,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:42:24,976 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 2026-02-10T11:42:24,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf 2026-02-10T11:42:24,979 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 2026-02-10T11:42:24,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:42:24,982 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 2026-02-10T11:42:24,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:42:24,986 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 2026-02-10T11:42:24,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:42:24,989 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 2026-02-10T11:42:24,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6 2026-02-10T11:42:24,993 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 2026-02-10T11:42:24,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4 2026-02-10T11:42:24,996 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 2026-02-10T11:42:24,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o 2026-02-10T11:42:24,999 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 2026-02-10T11:42:25,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6 2026-02-10T11:42:25,003 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 2026-02-10T11:42:25,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:42:25,006 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 2026-02-10T11:42:25,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3 2026-02-10T11:42:25,010 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 2026-02-10T11:42:25,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:42:25,013 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 2026-02-10T11:42:25,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:42:25,016 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 2026-02-10T11:42:25,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5 2026-02-10T11:42:25,020 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 2026-02-10T11:42:25,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2 2026-02-10T11:42:25,023 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 2026-02-10T11:42:25,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3 2026-02-10T11:42:25,026 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 2026-02-10T11:42:25,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:42:25,030 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 2026-02-10T11:42:25,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28 2026-02-10T11:42:25,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:42:25,035 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 2026-02-10T11:42:25,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:42:25,039 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 2026-02-10T11:42:25,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:42:25,042 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 2026-02-10T11:42:25,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s 2026-02-10T11:42:25,046 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 2026-02-10T11:42:25,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3 2026-02-10T11:42:25,049 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 2026-02-10T11:42:25,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:42:25,052 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 2026-02-10T11:42:25,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:42:25,056 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 2026-02-10T11:42:25,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:42:25,059 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 2026-02-10T11:42:25,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:42:25,062 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 2026-02-10T11:42:25,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:42:25,066 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 2026-02-10T11:42:25,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:42:25,069 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 2026-02-10T11:42:25,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:42:25,073 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 2026-02-10T11:42:25,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o 2026-02-10T11:42:25,076 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 2026-02-10T11:42:25,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:42:25,079 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 2026-02-10T11:42:25,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi 2026-02-10T11:42:25,083 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 2026-02-10T11:42:25,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:42:25,086 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 2026-02-10T11:42:25,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:42:25,090 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 2026-02-10T11:42:25,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:42:25,093 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 2026-02-10T11:42:25,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:42:25,147 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 2026-02-10T11:42:25,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:42:25,151 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 2026-02-10T11:42:25,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:42:25,154 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 2026-02-10T11:42:25,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:42:25,158 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 2026-02-10T11:42:25,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr 2026-02-10T11:42:25,161 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 2026-02-10T11:42:25,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:42:25,165 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 2026-02-10T11:42:25,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:42:25,168 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 2026-02-10T11:42:25,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3 2026-02-10T11:42:25,171 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 2026-02-10T11:42:25,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:42:25,175 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 2026-02-10T11:42:25,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:42:25,179 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 2026-02-10T11:42:25,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:42:25,182 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 2026-02-10T11:42:25,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:42:25,186 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 2026-02-10T11:42:25,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl 2026-02-10T11:42:25,189 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 2026-02-10T11:42:25,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:42:25,193 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 2026-02-10T11:42:25,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:42:25,196 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 2026-02-10T11:42:25,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:42:25,200 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 2026-02-10T11:42:25,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:42:25,203 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 2026-02-10T11:42:25,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:42:25,207 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 2026-02-10T11:42:25,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:42:25,210 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 2026-02-10T11:42:25,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2 2026-02-10T11:42:25,214 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 2026-02-10T11:42:25,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP 2026-02-10T11:42:25,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2 2026-02-10T11:42:25,220 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 2026-02-10T11:42:25,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l 2026-02-10T11:42:25,224 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 2026-02-10T11:42:25,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f 2026-02-10T11:42:25,228 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 2026-02-10T11:42:25,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1 2026-02-10T11:42:25,232 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 2026-02-10T11:42:25,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant 2026-02-10T11:42:25,236 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 2026-02-10T11:42:25,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2 2026-02-10T11:42:25,239 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 2026-02-10T11:42:25,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l 2026-02-10T11:42:25,243 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 2026-02-10T11:42:25,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene 2026-02-10T11:42:25,246 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 2026-02-10T11:42:25,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22 2026-02-10T11:42:25,250 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 2026-02-10T11:42:25,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1 2026-02-10T11:42:25,253 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 2026-02-10T11:42:25,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f 2026-02-10T11:42:25,257 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 2026-02-10T11:42:25,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer 2026-02-10T11:42:25,262 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 2026-02-10T11:42:25,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2 2026-02-10T11:42:25,266 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 2026-02-10T11:42:25,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24 2026-02-10T11:42:25,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:42:25,274 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 2026-02-10T11:42:25,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:42:25,278 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 2026-02-10T11:42:25,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:42:25,281 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 2026-02-10T11:42:25,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:42:25,285 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 2026-02-10T11:42:25,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:42:25,288 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 2026-02-10T11:42:25,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:42:25,292 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 2026-02-10T11:42:25,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3 2026-02-10T11:42:25,295 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 2026-02-10T11:42:25,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2 2026-02-10T11:42:25,299 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 2026-02-10T11:42:25,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:42:25,302 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 2026-02-10T11:42:25,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:42:25,306 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 2026-02-10T11:42:25,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3 2026-02-10T11:42:25,310 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 2026-02-10T11:42:25,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS 2026-02-10T11:42:25,313 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 2026-02-10T11:42:25,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:42:25,318 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 2026-02-10T11:42:25,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:42:25,322 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 2026-02-10T11:42:25,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O 2026-02-10T11:42:25,326 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 2026-02-10T11:42:25,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3 2026-02-10T11:42:25,329 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 2026-02-10T11:42:25,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3 2026-02-10T11:42:25,333 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 2026-02-10T11:42:25,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:42:25,336 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 2026-02-10T11:42:25,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether 2026-02-10T11:42:25,340 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 2026-02-10T11:42:25,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph 2026-02-10T11:42:25,343 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 2026-02-10T11:42:25,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S 2026-02-10T11:42:25,347 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 2026-02-10T11:42:25,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:42:25,350 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 2026-02-10T11:42:25,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:42:25,354 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 2026-02-10T11:42:25,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:42:25,358 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 2026-02-10T11:42:25,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:42:25,362 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 2026-02-10T11:42:25,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:42:25,365 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 2026-02-10T11:42:25,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:42:25,368 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 2026-02-10T11:42:25,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:42:25,372 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 2026-02-10T11:42:25,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:42:25,375 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 2026-02-10T11:42:25,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS 2026-02-10T11:42:25,379 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 2026-02-10T11:42:25,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether 2026-02-10T11:42:25,382 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 2026-02-10T11:42:25,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:42:25,386 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 2026-02-10T11:42:25,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:42:25,390 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 2026-02-10T11:42:25,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:42:25,393 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 2026-02-10T11:42:25,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:42:25,397 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 2026-02-10T11:42:25,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:42:25,401 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 2026-02-10T11:42:25,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3 2026-02-10T11:42:25,405 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 2026-02-10T11:42:25,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:42:25,409 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 2026-02-10T11:42:25,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene 2026-02-10T11:42:25,412 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 2026-02-10T11:42:25,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:42:25,415 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:42:25,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene 2026-02-10T11:42:25,419 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 2026-02-10T11:42:25,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:42:25,423 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 2026-02-10T11:42:25,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS 2026-02-10T11:42:25,426 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 2026-02-10T11:42:25,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:42:25,430 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 2026-02-10T11:42:25,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:42:25,433 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 2026-02-10T11:42:25,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:42:25,437 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 2026-02-10T11:42:25,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:42:25,440 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 2026-02-10T11:42:25,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS 2026-02-10T11:42:25,444 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 2026-02-10T11:42:25,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23 2026-02-10T11:42:25,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b 2026-02-10T11:42:25,450 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 2026-02-10T11:42:25,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1 2026-02-10T11:42:25,454 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 2026-02-10T11:42:25,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b 2026-02-10T11:42:25,457 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 2026-02-10T11:42:25,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a 2026-02-10T11:42:25,461 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 2026-02-10T11:42:25,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b 2026-02-10T11:42:25,464 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 2026-02-10T11:42:25,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b 2026-02-10T11:42:25,468 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 2026-02-10T11:42:25,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4 2026-02-10T11:42:25,471 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 2026-02-10T11:42:25,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b 2026-02-10T11:42:25,475 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 2026-02-10T11:42:25,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b 2026-02-10T11:42:25,478 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 2026-02-10T11:42:25,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12 2026-02-10T11:42:25,482 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 2026-02-10T11:42:25,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a 2026-02-10T11:42:25,485 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 2026-02-10T11:42:25,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a 2026-02-10T11:42:25,489 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 2026-02-10T11:42:25,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a 2026-02-10T11:42:25,492 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 2026-02-10T11:42:25,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b 2026-02-10T11:42:25,496 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 2026-02-10T11:42:25,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18 2026-02-10T11:42:25,499 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 2026-02-10T11:42:25,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13 2026-02-10T11:42:25,502 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 2026-02-10T11:42:25,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b 2026-02-10T11:42:25,506 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 2026-02-10T11:42:25,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b 2026-02-10T11:42:25,509 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 2026-02-10T11:42:25,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a 2026-02-10T11:42:25,513 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 2026-02-10T11:42:25,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b 2026-02-10T11:42:25,516 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 2026-02-10T11:42:25,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b 2026-02-10T11:42:25,520 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 2026-02-10T11:42:25,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20 2026-02-10T11:42:25,523 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 2026-02-10T11:42:25,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a 2026-02-10T11:42:25,527 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 2026-02-10T11:42:25,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b 2026-02-10T11:42:25,530 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 2026-02-10T11:42:25,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a 2026-02-10T11:42:25,534 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 2026-02-10T11:42:25,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3 2026-02-10T11:42:25,538 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 2026-02-10T11:42:25,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b 2026-02-10T11:42:25,541 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 2026-02-10T11:42:25,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a 2026-02-10T11:42:25,544 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 2026-02-10T11:42:25,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16 2026-02-10T11:42:25,548 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 2026-02-10T11:42:25,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a 2026-02-10T11:42:25,551 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 2026-02-10T11:42:25,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b 2026-02-10T11:42:25,555 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 2026-02-10T11:42:25,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9 2026-02-10T11:42:25,558 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 2026-02-10T11:42:25,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22 2026-02-10T11:42:25,562 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 2026-02-10T11:42:25,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7 2026-02-10T11:42:25,565 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 2026-02-10T11:42:25,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23 2026-02-10T11:42:25,568 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 2026-02-10T11:42:25,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a 2026-02-10T11:42:25,572 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 2026-02-10T11:42:25,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b 2026-02-10T11:42:25,575 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 2026-02-10T11:42:25,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10 2026-02-10T11:42:25,579 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 2026-02-10T11:42:25,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b 2026-02-10T11:42:25,582 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 2026-02-10T11:42:25,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a 2026-02-10T11:42:25,586 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 2026-02-10T11:42:25,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a 2026-02-10T11:42:25,589 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 2026-02-10T11:42:25,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a 2026-02-10T11:42:25,592 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 2026-02-10T11:42:25,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a 2026-02-10T11:42:25,596 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 2026-02-10T11:42:25,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a 2026-02-10T11:42:25,600 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 2026-02-10T11:42:25,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6 2026-02-10T11:42:25,603 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 2026-02-10T11:42:25,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b 2026-02-10T11:42:25,607 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 2026-02-10T11:42:25,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b 2026-02-10T11:42:25,610 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 2026-02-10T11:42:25,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b 2026-02-10T11:42:25,614 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 2026-02-10T11:42:25,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a 2026-02-10T11:42:25,618 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 2026-02-10T11:42:25,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a 2026-02-10T11:42:25,621 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 2026-02-10T11:42:25,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11 2026-02-10T11:42:25,625 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 2026-02-10T11:42:25,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5 2026-02-10T11:42:25,628 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 2026-02-10T11:42:25,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b 2026-02-10T11:42:25,631 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 2026-02-10T11:42:25,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15 2026-02-10T11:42:25,635 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 2026-02-10T11:42:25,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a 2026-02-10T11:42:25,638 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 2026-02-10T11:42:25,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17 2026-02-10T11:42:25,642 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 2026-02-10T11:42:25,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a 2026-02-10T11:42:25,645 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 2026-02-10T11:42:25,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21 2026-02-10T11:42:25,648 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 2026-02-10T11:42:25,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a 2026-02-10T11:42:25,652 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 2026-02-10T11:42:25,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a 2026-02-10T11:42:25,656 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 2026-02-10T11:42:25,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b 2026-02-10T11:42:25,660 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 2026-02-10T11:42:25,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b 2026-02-10T11:42:25,663 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 2026-02-10T11:42:25,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2 2026-02-10T11:42:25,667 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 2026-02-10T11:42:25,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14 2026-02-10T11:42:25,670 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 2026-02-10T11:42:25,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b 2026-02-10T11:42:25,674 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 2026-02-10T11:42:25,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19 2026-02-10T11:42:25,677 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 2026-02-10T11:42:25,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a 2026-02-10T11:42:25,681 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 2026-02-10T11:42:25,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a 2026-02-10T11:42:25,684 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 2026-02-10T11:42:25,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8 2026-02-10T11:42:25,687 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 2026-02-10T11:42:25,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11 2026-02-10T11:42:25,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic 2026-02-10T11:42:25,695 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 2026-02-10T11:42:25,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of 2026-02-10T11:42:25,699 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 2026-02-10T11:42:25,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo 2026-02-10T11:42:25,703 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 2026-02-10T11:42:25,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4 2026-02-10T11:42:25,706 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 2026-02-10T11:42:25,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh 2026-02-10T11:42:25,710 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 2026-02-10T11:42:25,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc 2026-02-10T11:42:25,713 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 2026-02-10T11:42:25,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh 2026-02-10T11:42:25,717 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 2026-02-10T11:42:25,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic 2026-02-10T11:42:25,720 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 2026-02-10T11:42:25,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal 2026-02-10T11:42:25,723 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 2026-02-10T11:42:25,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof 2026-02-10T11:42:25,727 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 2026-02-10T11:42:25,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono 2026-02-10T11:42:25,730 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 2026-02-10T11:42:25,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene 2026-02-10T11:42:25,734 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 2026-02-10T11:42:25,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:42:25,737 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 2026-02-10T11:42:25,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:42:25,741 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 2026-02-10T11:42:25,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2 2026-02-10T11:42:25,744 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 2026-02-10T11:42:25,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh 2026-02-10T11:42:25,747 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 2026-02-10T11:42:25,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf 2026-02-10T11:42:25,751 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 2026-02-10T11:42:25,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2 2026-02-10T11:42:25,754 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 2026-02-10T11:42:25,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2 2026-02-10T11:42:25,758 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 2026-02-10T11:42:25,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof 2026-02-10T11:42:25,761 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 2026-02-10T11:42:25,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf 2026-02-10T11:42:25,764 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 2026-02-10T11:42:25,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s 2026-02-10T11:42:25,768 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 2026-02-10T11:42:25,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf 2026-02-10T11:42:25,771 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 2026-02-10T11:42:25,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co 2026-02-10T11:42:25,775 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 2026-02-10T11:42:25,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3 2026-02-10T11:42:25,778 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 2026-02-10T11:42:25,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3 2026-02-10T11:42:25,782 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 2026-02-10T11:42:25,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn 2026-02-10T11:42:25,785 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 2026-02-10T11:42:25,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol 2026-02-10T11:42:25,789 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 2026-02-10T11:42:25,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh 2026-02-10T11:42:25,793 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 2026-02-10T11:42:25,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2 2026-02-10T11:42:25,796 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 2026-02-10T11:42:25,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol 2026-02-10T11:42:25,799 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 2026-02-10T11:42:25,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2 2026-02-10T11:42:25,803 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 2026-02-10T11:42:25,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f 2026-02-10T11:42:25,806 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 2026-02-10T11:42:25,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6 2026-02-10T11:42:25,810 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 2026-02-10T11:42:25,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4 2026-02-10T11:42:25,813 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 2026-02-10T11:42:25,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs 2026-02-10T11:42:25,816 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 2026-02-10T11:42:25,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn 2026-02-10T11:42:25,820 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 2026-02-10T11:42:25,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3 2026-02-10T11:42:25,823 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 2026-02-10T11:42:25,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b 2026-02-10T11:42:25,827 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 2026-02-10T11:42:25,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2 2026-02-10T11:42:25,830 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 2026-02-10T11:42:25,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2 2026-02-10T11:42:25,834 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 2026-02-10T11:42:25,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl 2026-02-10T11:42:25,837 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 2026-02-10T11:42:25,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh 2026-02-10T11:42:25,841 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 2026-02-10T11:42:25,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:42:25,844 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 2026-02-10T11:42:25,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o 2026-02-10T11:42:25,847 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 2026-02-10T11:42:25,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4 2026-02-10T11:42:25,851 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 2026-02-10T11:42:25,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:42:25,854 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 2026-02-10T11:42:25,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6 2026-02-10T11:42:25,858 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 2026-02-10T11:42:25,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno 2026-02-10T11:42:25,861 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 2026-02-10T11:42:25,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2 2026-02-10T11:42:25,865 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 2026-02-10T11:42:25,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo 2026-02-10T11:42:25,868 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 2026-02-10T11:42:25,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn 2026-02-10T11:42:25,872 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 2026-02-10T11:42:25,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne 2026-02-10T11:42:25,875 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 2026-02-10T11:42:25,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2 2026-02-10T11:42:25,879 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 2026-02-10T11:42:25,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o 2026-02-10T11:42:25,882 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 2026-02-10T11:42:25,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:42:25,886 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 2026-02-10T11:42:25,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf 2026-02-10T11:42:25,889 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 2026-02-10T11:42:25,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4 2026-02-10T11:42:25,893 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 2026-02-10T11:42:25,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be 2026-02-10T11:42:25,896 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 2026-02-10T11:42:25,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf 2026-02-10T11:42:25,899 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 2026-02-10T11:42:25,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o 2026-02-10T11:42:25,903 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 2026-02-10T11:42:25,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4 2026-02-10T11:42:25,907 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 2026-02-10T11:42:25,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf 2026-02-10T11:42:25,910 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 2026-02-10T11:42:25,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3 2026-02-10T11:42:25,914 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 2026-02-10T11:42:25,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h 2026-02-10T11:42:25,917 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 2026-02-10T11:42:25,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo 2026-02-10T11:42:25,921 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 2026-02-10T11:42:25,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl 2026-02-10T11:42:25,924 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 2026-02-10T11:42:25,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6 2026-02-10T11:42:25,927 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 2026-02-10T11:42:25,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2 2026-02-10T11:42:25,931 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 2026-02-10T11:42:25,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo 2026-02-10T11:42:25,934 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 2026-02-10T11:42:25,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane 2026-02-10T11:42:25,937 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 2026-02-10T11:42:25,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco 2026-02-10T11:42:25,941 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 2026-02-10T11:42:25,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si 2026-02-10T11:42:25,944 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 2026-02-10T11:42:25,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n 2026-02-10T11:42:25,948 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 2026-02-10T11:42:25,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h 2026-02-10T11:42:25,951 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 2026-02-10T11:42:25,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane 2026-02-10T11:42:25,955 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 2026-02-10T11:42:25,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2 2026-02-10T11:42:25,958 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 2026-02-10T11:42:25,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene 2026-02-10T11:42:25,962 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 2026-02-10T11:42:25,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl 2026-02-10T11:42:25,965 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 2026-02-10T11:42:25,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2 2026-02-10T11:42:25,969 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 2026-02-10T11:42:25,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f 2026-02-10T11:42:25,972 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 2026-02-10T11:42:25,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3 2026-02-10T11:42:25,975 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 2026-02-10T11:42:25,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2 2026-02-10T11:42:25,979 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 2026-02-10T11:42:25,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o 2026-02-10T11:42:25,982 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 2026-02-10T11:42:25,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3 2026-02-10T11:42:25,986 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 2026-02-10T11:42:25,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s 2026-02-10T11:42:25,989 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 2026-02-10T11:42:25,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o 2026-02-10T11:42:25,993 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 2026-02-10T11:42:25,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3 2026-02-10T11:42:25,996 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 2026-02-10T11:42:25,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4 2026-02-10T11:42:26,000 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 2026-02-10T11:42:26,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3 2026-02-10T11:42:26,003 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 2026-02-10T11:42:26,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih 2026-02-10T11:42:26,007 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 2026-02-10T11:42:26,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof 2026-02-10T11:42:26,011 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 2026-02-10T11:42:26,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f 2026-02-10T11:42:26,014 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 2026-02-10T11:42:26,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno 2026-02-10T11:42:26,017 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 2026-02-10T11:42:26,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no 2026-02-10T11:42:26,021 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 2026-02-10T11:42:26,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c 2026-02-10T11:42:26,024 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 2026-02-10T11:42:26,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh 2026-02-10T11:42:26,028 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 2026-02-10T11:42:26,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co 2026-02-10T11:42:26,031 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 2026-02-10T11:42:26,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene 2026-02-10T11:42:26,035 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 2026-02-10T11:42:26,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn 2026-02-10T11:42:26,039 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 2026-02-10T11:42:26,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs 2026-02-10T11:42:26,042 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 2026-02-10T11:42:26,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p 2026-02-10T11:42:26,046 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 2026-02-10T11:42:26,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:42:26,050 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 2026-02-10T11:42:26,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch 2026-02-10T11:42:26,054 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 2026-02-10T11:42:26,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3 2026-02-10T11:42:26,057 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 2026-02-10T11:42:26,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh 2026-02-10T11:42:26,061 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 2026-02-10T11:42:26,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2 2026-02-10T11:42:26,065 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 2026-02-10T11:42:26,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2 2026-02-10T11:42:26,069 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 2026-02-10T11:42:26,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f 2026-02-10T11:42:26,072 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 2026-02-10T11:42:26,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2 2026-02-10T11:42:26,076 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 2026-02-10T11:42:26,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs 2026-02-10T11:42:26,080 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 2026-02-10T11:42:26,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi 2026-02-10T11:42:26,083 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 2026-02-10T11:42:26,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl 2026-02-10T11:42:26,087 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 2026-02-10T11:42:26,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2 2026-02-10T11:42:26,091 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 2026-02-10T11:42:26,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene 2026-02-10T11:42:26,095 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 2026-02-10T11:42:26,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo 2026-02-10T11:42:26,098 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 2026-02-10T11:42:26,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2 2026-02-10T11:42:26,102 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 2026-02-10T11:42:26,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf 2026-02-10T11:42:26,105 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 2026-02-10T11:42:26,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so 2026-02-10T11:42:26,109 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 2026-02-10T11:42:26,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch 2026-02-10T11:42:26,112 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 2026-02-10T11:42:26,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2 2026-02-10T11:42:26,116 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 2026-02-10T11:42:26,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane 2026-02-10T11:42:26,120 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 2026-02-10T11:42:26,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o 2026-02-10T11:42:26,124 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 2026-02-10T11:42:26,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc 2026-02-10T11:42:26,127 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 2026-02-10T11:42:26,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:42:26,131 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 2026-02-10T11:42:26,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3 2026-02-10T11:42:26,135 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 2026-02-10T11:42:26,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c 2026-02-10T11:42:26,139 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 2026-02-10T11:42:26,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2 2026-02-10T11:42:26,142 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 2026-02-10T11:42:26,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco 2026-02-10T11:42:26,146 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 2026-02-10T11:42:26,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2 2026-02-10T11:42:26,149 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 2026-02-10T11:42:26,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn 2026-02-10T11:42:26,153 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 2026-02-10T11:42:26,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:42:26,157 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 2026-02-10T11:42:26,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f 2026-02-10T11:42:26,160 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 2026-02-10T11:42:26,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn 2026-02-10T11:42:26,164 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 2026-02-10T11:42:26,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co 2026-02-10T11:42:26,168 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 2026-02-10T11:42:26,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:42:26,171 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 2026-02-10T11:42:26,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif 2026-02-10T11:42:26,175 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 2026-02-10T11:42:26,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4 2026-02-10T11:42:26,178 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 2026-02-10T11:42:26,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3 2026-02-10T11:42:26,182 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 2026-02-10T11:42:26,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2 2026-02-10T11:42:26,186 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 2026-02-10T11:42:26,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al 2026-02-10T11:42:26,189 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 2026-02-10T11:42:26,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh 2026-02-10T11:42:26,193 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 2026-02-10T11:42:26,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono 2026-02-10T11:42:26,196 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 2026-02-10T11:42:26,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn 2026-02-10T11:42:26,200 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn 2026-02-10T11:42:26,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo 2026-02-10T11:42:26,204 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 2026-02-10T11:42:26,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio 2026-02-10T11:42:26,208 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 2026-02-10T11:42:26,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh 2026-02-10T11:42:26,211 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 2026-02-10T11:42:26,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:42:26,215 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 2026-02-10T11:42:26,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch 2026-02-10T11:42:26,219 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 2026-02-10T11:42:26,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl 2026-02-10T11:42:26,222 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 2026-02-10T11:42:26,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn 2026-02-10T11:42:26,226 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 2026-02-10T11:42:26,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2 2026-02-10T11:42:26,230 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 2026-02-10T11:42:26,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43 2026-02-10T11:42:26,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07 2026-02-10T11:42:26,237 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 2026-02-10T11:42:26,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36 2026-02-10T11:42:26,240 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 2026-02-10T11:42:26,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02 2026-02-10T11:42:26,244 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 2026-02-10T11:42:26,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12 2026-02-10T11:42:26,248 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 2026-02-10T11:42:26,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27 2026-02-10T11:42:26,251 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 2026-02-10T11:42:26,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18 2026-02-10T11:42:26,255 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 2026-02-10T11:42:26,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34 2026-02-10T11:42:26,258 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 2026-02-10T11:42:26,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13 2026-02-10T11:42:26,262 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 2026-02-10T11:42:26,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38 2026-02-10T11:42:26,266 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 2026-02-10T11:42:26,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2 2026-02-10T11:42:26,269 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 2026-02-10T11:42:26,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH 2026-02-10T11:42:26,273 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 2026-02-10T11:42:26,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2 2026-02-10T11:42:26,277 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 2026-02-10T11:42:26,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05 2026-02-10T11:42:26,281 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 2026-02-10T11:42:26,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20 2026-02-10T11:42:26,285 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 2026-02-10T11:42:26,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01 2026-02-10T11:42:26,288 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 2026-02-10T11:42:26,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08 2026-02-10T11:42:26,292 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 2026-02-10T11:42:26,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41 2026-02-10T11:42:26,295 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 2026-02-10T11:42:26,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4 2026-02-10T11:42:26,299 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 2026-02-10T11:42:26,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2 2026-02-10T11:42:26,302 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 2026-02-10T11:42:26,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04 2026-02-10T11:42:26,306 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 2026-02-10T11:42:26,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16 2026-02-10T11:42:26,310 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 2026-02-10T11:42:26,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4 2026-02-10T11:42:26,313 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 2026-02-10T11:42:26,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2 2026-02-10T11:42:26,317 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 2026-02-10T11:42:26,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25 2026-02-10T11:42:26,320 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 2026-02-10T11:42:26,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30 2026-02-10T11:42:26,324 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 2026-02-10T11:42:26,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH 2026-02-10T11:42:26,328 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 2026-02-10T11:42:26,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43 2026-02-10T11:42:26,332 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 2026-02-10T11:42:26,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2 2026-02-10T11:42:26,336 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 2026-02-10T11:42:26,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09 2026-02-10T11:42:26,339 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 2026-02-10T11:42:26,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37 2026-02-10T11:42:26,343 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 2026-02-10T11:42:26,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3 2026-02-10T11:42:26,347 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 2026-02-10T11:42:26,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22 2026-02-10T11:42:26,350 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 2026-02-10T11:42:26,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23 2026-02-10T11:42:26,354 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 2026-02-10T11:42:26,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2 2026-02-10T11:42:26,358 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 2026-02-10T11:42:26,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10 2026-02-10T11:42:26,362 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 2026-02-10T11:42:26,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06 2026-02-10T11:42:26,365 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 2026-02-10T11:42:26,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2 2026-02-10T11:42:26,369 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 2026-02-10T11:42:26,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28 2026-02-10T11:42:26,373 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 2026-02-10T11:42:26,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26 2026-02-10T11:42:26,376 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 2026-02-10T11:42:26,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40 2026-02-10T11:42:26,380 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 2026-02-10T11:42:26,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11 2026-02-10T11:42:26,384 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 2026-02-10T11:42:26,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32 2026-02-10T11:42:26,388 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 2026-02-10T11:42:26,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2 2026-02-10T11:42:26,392 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 2026-02-10T11:42:26,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24 2026-02-10T11:42:26,397 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 2026-02-10T11:42:26,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15 2026-02-10T11:42:26,400 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 2026-02-10T11:42:26,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03 2026-02-10T11:42:26,404 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 2026-02-10T11:42:26,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17 2026-02-10T11:42:26,407 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 2026-02-10T11:42:26,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21 2026-02-10T11:42:26,411 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 2026-02-10T11:42:26,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3 2026-02-10T11:42:26,414 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 2026-02-10T11:42:26,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42 2026-02-10T11:42:26,418 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 2026-02-10T11:42:26,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39 2026-02-10T11:42:26,422 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 2026-02-10T11:42:26,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35 2026-02-10T11:42:26,425 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 2026-02-10T11:42:26,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14 2026-02-10T11:42:26,429 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 2026-02-10T11:42:26,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19 2026-02-10T11:42:26,432 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 2026-02-10T11:42:26,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33 2026-02-10T11:42:26,436 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 2026-02-10T11:42:26,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2 2026-02-10T11:42:26,439 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 2026-02-10T11:42:26,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29 2026-02-10T11:42:26,443 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 2026-02-10T11:42:26,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31 2026-02-10T11:42:26,447 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 2026-02-10T11:42:26,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23 2026-02-10T11:42:26,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z 2026-02-10T11:42:26,453 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 2026-02-10T11:42:26,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b 2026-02-10T11:42:26,457 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 2026-02-10T11:42:26,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e 2026-02-10T11:42:26,460 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 2026-02-10T11:42:26,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d 2026-02-10T11:42:26,467 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 2026-02-10T11:42:26,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m 2026-02-10T11:42:26,472 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 2026-02-10T11:42:26,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b 2026-02-10T11:42:26,478 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 2026-02-10T11:42:26,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f 2026-02-10T11:42:26,482 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 2026-02-10T11:42:26,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a 2026-02-10T11:42:26,486 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 2026-02-10T11:42:26,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b 2026-02-10T11:42:26,490 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 2026-02-10T11:42:26,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b 2026-02-10T11:42:26,493 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 2026-02-10T11:42:26,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h 2026-02-10T11:42:26,498 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 2026-02-10T11:42:26,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g 2026-02-10T11:42:26,501 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 2026-02-10T11:42:26,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p 2026-02-10T11:42:26,505 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 2026-02-10T11:42:26,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p 2026-02-10T11:42:26,509 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 2026-02-10T11:42:26,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a 2026-02-10T11:42:26,513 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 2026-02-10T11:42:26,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p 2026-02-10T11:42:26,517 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 2026-02-10T11:42:26,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d 2026-02-10T11:42:26,736 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 2026-02-10T11:42:26,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a 2026-02-10T11:42:26,741 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 2026-02-10T11:42:26,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a 2026-02-10T11:42:26,745 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 2026-02-10T11:42:26,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c 2026-02-10T11:42:26,749 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 2026-02-10T11:42:26,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p 2026-02-10T11:42:26,752 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 2026-02-10T11:42:26,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa 2026-02-10T11:42:26,756 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 2026-02-10T11:42:26,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a 2026-02-10T11:42:26,760 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 2026-02-10T11:42:26,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a 2026-02-10T11:42:26,764 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 2026-02-10T11:42:26,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27 2026-02-10T11:42:26,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:42:26,770 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 2026-02-10T11:42:26,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:42:26,777 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 2026-02-10T11:42:26,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:42:26,780 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 2026-02-10T11:42:26,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:42:26,784 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 2026-02-10T11:42:26,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:42:26,788 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 2026-02-10T11:42:26,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:42:26,792 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 2026-02-10T11:42:26,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:42:26,796 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 2026-02-10T11:42:26,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:42:26,799 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 2026-02-10T11:42:26,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:42:26,803 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 2026-02-10T11:42:26,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:42:26,807 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 2026-02-10T11:42:26,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:42:26,811 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 2026-02-10T11:42:26,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2 2026-02-10T11:42:26,815 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 2026-02-10T11:42:26,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:42:26,819 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 2026-02-10T11:42:26,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:42:26,824 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 2026-02-10T11:42:26,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:42:26,828 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 2026-02-10T11:42:26,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:42:26,831 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 2026-02-10T11:42:26,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:42:26,836 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 2026-02-10T11:42:26,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:42:26,839 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 2026-02-10T11:42:26,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:42:26,843 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 2026-02-10T11:42:26,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:42:26,847 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 2026-02-10T11:42:26,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:42:26,852 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 2026-02-10T11:42:26,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:42:26,857 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 2026-02-10T11:42:26,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:42:26,862 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 2026-02-10T11:42:26,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:42:26,868 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 2026-02-10T11:42:26,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2 2026-02-10T11:42:26,871 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 2026-02-10T11:42:26,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:42:26,875 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 2026-02-10T11:42:26,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:42:26,880 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 2026-02-10T11:42:26,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:42:26,884 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 2026-02-10T11:42:26,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:42:26,888 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 2026-02-10T11:42:26,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:42:26,891 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 2026-02-10T11:42:26,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:42:26,894 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 2026-02-10T11:42:26,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:42:26,898 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 2026-02-10T11:42:26,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:42:26,902 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 2026-02-10T11:42:26,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:42:26,906 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 2026-02-10T11:42:26,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:42:26,911 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 2026-02-10T11:42:26,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:42:26,915 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 2026-02-10T11:42:26,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:42:26,918 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 2026-02-10T11:42:26,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:42:26,922 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 2026-02-10T11:42:26,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:42:26,926 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 2026-02-10T11:42:26,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:42:26,931 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 2026-02-10T11:42:26,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15 2026-02-10T11:42:26,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b 2026-02-10T11:42:26,938 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 2026-02-10T11:42:26,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b 2026-02-10T11:42:26,945 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 2026-02-10T11:42:26,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c 2026-02-10T11:42:26,951 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 2026-02-10T11:42:26,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a 2026-02-10T11:42:26,957 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 2026-02-10T11:42:26,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b 2026-02-10T11:42:26,964 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 2026-02-10T11:42:26,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c 2026-02-10T11:42:26,969 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 2026-02-10T11:42:26,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b 2026-02-10T11:42:26,974 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 2026-02-10T11:42:26,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c 2026-02-10T11:42:26,980 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 2026-02-10T11:42:26,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a 2026-02-10T11:42:26,986 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 2026-02-10T11:42:26,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d 2026-02-10T11:42:26,990 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 2026-02-10T11:42:26,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a 2026-02-10T11:42:26,994 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 2026-02-10T11:42:26,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b 2026-02-10T11:42:26,997 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 2026-02-10T11:42:27,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b 2026-02-10T11:42:27,001 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 2026-02-10T11:42:27,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d 2026-02-10T11:42:27,004 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 2026-02-10T11:42:27,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a 2026-02-10T11:42:27,008 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 2026-02-10T11:42:27,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a 2026-02-10T11:42:27,011 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 2026-02-10T11:42:27,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b 2026-02-10T11:42:27,016 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 2026-02-10T11:42:27,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a 2026-02-10T11:42:27,020 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 2026-02-10T11:42:27,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b 2026-02-10T11:42:27,026 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 2026-02-10T11:42:27,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a 2026-02-10T11:42:27,032 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 2026-02-10T11:42:27,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a 2026-02-10T11:42:27,038 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 2026-02-10T11:42:27,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b 2026-02-10T11:42:27,044 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 2026-02-10T11:42:27,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b 2026-02-10T11:42:27,049 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 2026-02-10T11:42:27,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a 2026-02-10T11:42:27,056 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 2026-02-10T11:42:27,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a 2026-02-10T11:42:27,061 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 2026-02-10T11:42:27,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL 2026-02-10T11:42:27,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:42:27,069 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 2026-02-10T11:42:27,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:42:27,074 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 2026-02-10T11:42:27,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:42:27,078 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 2026-02-10T11:42:27,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:42:27,083 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 2026-02-10T11:42:27,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:42:27,091 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 2026-02-10T11:42:27,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:42:27,101 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 2026-02-10T11:42:27,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:42:27,113 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 2026-02-10T11:42:27,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:42:27,126 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 2026-02-10T11:42:27,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:42:27,138 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 2026-02-10T11:42:27,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:42:27,144 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 2026-02-10T11:42:27,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:42:27,151 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 2026-02-10T11:42:27,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:42:27,157 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 2026-02-10T11:42:27,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:42:27,162 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 2026-02-10T11:42:27,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:42:27,169 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 2026-02-10T11:42:27,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:42:27,176 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 2026-02-10T11:42:27,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:42:27,182 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 2026-02-10T11:42:27,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:42:27,187 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 2026-02-10T11:42:27,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:42:27,193 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 2026-02-10T11:42:27,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:42:27,199 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 2026-02-10T11:42:27,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:42:27,206 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 2026-02-10T11:42:27,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:42:27,211 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 2026-02-10T11:42:27,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:42:27,217 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 2026-02-10T11:42:27,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:42:27,222 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 2026-02-10T11:42:27,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:42:27,227 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 2026-02-10T11:42:27,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:42:27,233 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 2026-02-10T11:42:27,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:42:27,238 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 2026-02-10T11:42:27,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:42:27,244 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 2026-02-10T11:42:27,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:42:27,249 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 2026-02-10T11:42:27,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:42:27,256 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 2026-02-10T11:42:27,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:42:27,262 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 2026-02-10T11:42:27,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:42:27,268 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 2026-02-10T11:42:27,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:42:27,273 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 2026-02-10T11:42:27,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:42:27,279 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 2026-02-10T11:42:27,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:42:27,285 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 2026-02-10T11:42:27,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:42:27,290 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 2026-02-10T11:42:27,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:42:27,296 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 2026-02-10T11:42:27,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:42:27,302 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 2026-02-10T11:42:27,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:42:27,307 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 2026-02-10T11:42:27,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:42:27,313 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 2026-02-10T11:42:27,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:42:27,318 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 2026-02-10T11:42:27,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:42:27,324 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 2026-02-10T11:42:27,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:42:27,328 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 2026-02-10T11:42:27,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:42:27,332 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 2026-02-10T11:42:27,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:42:27,336 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 2026-02-10T11:42:27,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:42:27,342 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 2026-02-10T11:42:27,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:42:27,347 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 2026-02-10T11:42:27,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:42:27,352 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 2026-02-10T11:42:27,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:42:27,357 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 2026-02-10T11:42:27,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:42:27,362 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 2026-02-10T11:42:27,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:42:27,367 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 2026-02-10T11:42:27,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:42:27,372 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 2026-02-10T11:42:27,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:42:27,376 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 2026-02-10T11:42:27,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:42:27,381 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 2026-02-10T11:42:27,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:42:27,385 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 2026-02-10T11:42:27,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:42:27,390 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 2026-02-10T11:42:27,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:42:27,394 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 2026-02-10T11:42:27,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:42:27,398 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 2026-02-10T11:42:27,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:42:27,403 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 2026-02-10T11:42:27,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:42:27,407 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 2026-02-10T11:42:27,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:42:27,412 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 2026-02-10T11:42:27,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:42:27,416 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 2026-02-10T11:42:27,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:42:27,420 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 2026-02-10T11:42:27,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:42:27,425 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 2026-02-10T11:42:27,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:42:27,429 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 2026-02-10T11:42:27,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:42:27,434 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 2026-02-10T11:42:27,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC 2026-02-10T11:42:27,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:42:27,440 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 2026-02-10T11:42:27,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3 2026-02-10T11:42:27,445 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 2026-02-10T11:42:27,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3 2026-02-10T11:42:27,449 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 2026-02-10T11:42:27,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:42:27,453 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 2026-02-10T11:42:27,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:42:27,457 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 2026-02-10T11:42:27,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3 2026-02-10T11:42:27,461 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 2026-02-10T11:42:27,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:42:27,466 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 2026-02-10T11:42:27,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3 2026-02-10T11:42:27,470 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 2026-02-10T11:42:27,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:42:27,473 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 2026-02-10T11:42:27,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:42:27,477 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 2026-02-10T11:42:27,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut 2026-02-10T11:42:27,482 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 2026-02-10T11:42:27,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F 2026-02-10T11:42:27,486 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 2026-02-10T11:42:27,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H 2026-02-10T11:42:27,490 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 2026-02-10T11:42:27,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2 2026-02-10T11:42:27,495 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 2026-02-10T11:42:27,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3 2026-02-10T11:42:27,499 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 2026-02-10T11:42:27,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3 2026-02-10T11:42:27,503 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 2026-02-10T11:42:27,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3 2026-02-10T11:42:27,507 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 2026-02-10T11:42:27,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz 2026-02-10T11:42:27,511 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 2026-02-10T11:42:27,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:42:27,515 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 2026-02-10T11:42:27,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch 2026-02-10T11:42:27,518 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 2026-02-10T11:42:27,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2 2026-02-10T11:42:27,522 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 2026-02-10T11:42:27,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21 2026-02-10T11:42:27,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1 2026-02-10T11:42:27,527 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 2026-02-10T11:42:27,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3 2026-02-10T11:42:27,531 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 2026-02-10T11:42:27,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2 2026-02-10T11:42:27,534 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 2026-02-10T11:42:27,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2 2026-02-10T11:42:27,538 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 2026-02-10T11:42:27,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e 2026-02-10T11:42:27,541 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 2026-02-10T11:42:27,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e 2026-02-10T11:42:27,545 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 2026-02-10T11:42:27,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3 2026-02-10T11:42:27,548 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 2026-02-10T11:42:27,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3 2026-02-10T11:42:27,552 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 2026-02-10T11:42:27,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e 2026-02-10T11:42:27,556 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 2026-02-10T11:42:27,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1 2026-02-10T11:42:27,560 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 2026-02-10T11:42:27,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1 2026-02-10T11:42:27,563 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 2026-02-10T11:42:27,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2 2026-02-10T11:42:27,566 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 2026-02-10T11:42:27,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3 2026-02-10T11:42:27,570 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 2026-02-10T11:42:27,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e 2026-02-10T11:42:27,573 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 2026-02-10T11:42:27,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5 2026-02-10T11:42:27,577 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 2026-02-10T11:42:27,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int 2026-02-10T11:42:27,580 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 2026-02-10T11:42:27,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1 2026-02-10T11:42:27,584 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 2026-02-10T11:42:27,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p 2026-02-10T11:42:27,587 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 2026-02-10T11:42:27,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr 2026-02-10T11:42:27,591 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 2026-02-10T11:42:27,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1 2026-02-10T11:42:27,594 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 2026-02-10T11:42:27,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2 2026-02-10T11:42:27,598 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 2026-02-10T11:42:27,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p 2026-02-10T11:42:27,601 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 2026-02-10T11:42:27,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me 2026-02-10T11:42:27,605 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 2026-02-10T11:42:27,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene 2026-02-10T11:42:27,608 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 2026-02-10T11:42:27,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2 2026-02-10T11:42:27,611 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 2026-02-10T11:42:27,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6 2026-02-10T11:42:27,615 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 2026-02-10T11:42:27,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e 2026-02-10T11:42:27,619 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 2026-02-10T11:42:27,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e 2026-02-10T11:42:27,623 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 2026-02-10T11:42:27,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4 2026-02-10T11:42:27,626 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 2026-02-10T11:42:27,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3 2026-02-10T11:42:27,629 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 2026-02-10T11:42:27,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1 2026-02-10T11:42:27,633 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 2026-02-10T11:42:27,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1 2026-02-10T11:42:27,637 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 2026-02-10T11:42:27,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3 2026-02-10T11:42:27,641 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 2026-02-10T11:42:27,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e 2026-02-10T11:42:27,644 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 2026-02-10T11:42:27,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2 2026-02-10T11:42:27,648 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 2026-02-10T11:42:27,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1 2026-02-10T11:42:27,651 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 2026-02-10T11:42:27,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e 2026-02-10T11:42:27,655 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 2026-02-10T11:42:27,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2 2026-02-10T11:42:27,658 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 2026-02-10T11:42:27,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1 2026-02-10T11:42:27,662 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 2026-02-10T11:42:27,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e 2026-02-10T11:42:27,665 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 2026-02-10T11:42:27,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e 2026-02-10T11:42:27,669 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 2026-02-10T11:42:27,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20 2026-02-10T11:42:27,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25 2026-02-10T11:42:27,676 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 2026-02-10T11:42:27,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52 2026-02-10T11:42:27,680 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 2026-02-10T11:42:27,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45 2026-02-10T11:42:27,684 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 2026-02-10T11:42:27,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45 2026-02-10T11:42:27,688 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 2026-02-10T11:42:27,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51 2026-02-10T11:42:27,692 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 2026-02-10T11:42:27,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40 2026-02-10T11:42:27,695 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 2026-02-10T11:42:27,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44 2026-02-10T11:42:27,699 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 2026-02-10T11:42:27,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60 2026-02-10T11:42:27,703 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 2026-02-10T11:42:27,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60 2026-02-10T11:42:27,707 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 2026-02-10T11:42:27,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56 2026-02-10T11:42:27,710 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 2026-02-10T11:42:27,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43 2026-02-10T11:42:27,714 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 2026-02-10T11:42:27,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21 2026-02-10T11:42:27,717 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 2026-02-10T11:42:27,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44 2026-02-10T11:42:27,721 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 2026-02-10T11:42:27,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29 2026-02-10T11:42:27,725 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 2026-02-10T11:42:27,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26 2026-02-10T11:42:27,730 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 2026-02-10T11:42:27,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22 2026-02-10T11:42:27,734 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 2026-02-10T11:42:27,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57 2026-02-10T11:42:27,741 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 2026-02-10T11:42:27,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26 2026-02-10T11:42:27,745 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 2026-02-10T11:42:27,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20 2026-02-10T11:42:27,748 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 2026-02-10T11:42:27,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22 2026-02-10T11:42:27,752 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 2026-02-10T11:42:27,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43 2026-02-10T11:42:27,755 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 2026-02-10T11:42:27,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52 2026-02-10T11:42:27,758 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 2026-02-10T11:42:27,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47 2026-02-10T11:42:27,762 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 2026-02-10T11:42:27,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47 2026-02-10T11:42:27,765 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 2026-02-10T11:42:27,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28 2026-02-10T11:42:27,769 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 2026-02-10T11:42:27,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49 2026-02-10T11:42:27,772 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 2026-02-10T11:42:27,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48 2026-02-10T11:42:27,776 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 2026-02-10T11:42:27,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49 2026-02-10T11:42:27,779 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 2026-02-10T11:42:27,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48 2026-02-10T11:42:27,782 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 2026-02-10T11:42:27,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20 2026-02-10T11:42:27,786 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 2026-02-10T11:42:27,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46 2026-02-10T11:42:27,789 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 2026-02-10T11:42:27,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51 2026-02-10T11:42:27,793 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 2026-02-10T11:42:27,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40 2026-02-10T11:42:27,796 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 2026-02-10T11:42:27,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46 2026-02-10T11:42:27,800 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 2026-02-10T11:42:27,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25 2026-02-10T11:42:27,803 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 2026-02-10T11:42:27,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56 2026-02-10T11:42:27,807 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 2026-02-10T11:42:27,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05 2026-02-10T11:42:27,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:42:27,815 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 2026-02-10T11:42:27,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1 2026-02-10T11:42:27,818 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 2026-02-10T11:42:27,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2 2026-02-10T11:42:27,822 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 2026-02-10T11:42:27,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1 2026-02-10T11:42:27,825 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 2026-02-10T11:42:27,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic 2026-02-10T11:42:27,829 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 2026-02-10T11:42:27,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64 2026-02-10T11:42:27,832 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 2026-02-10T11:42:27,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr 2026-02-10T11:42:27,836 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 2026-02-10T11:42:27,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr 2026-02-10T11:42:27,839 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 2026-02-10T11:42:27,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A 2026-02-10T11:42:27,843 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 2026-02-10T11:42:27,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo 2026-02-10T11:42:27,846 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 2026-02-10T11:42:27,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A 2026-02-10T11:42:27,849 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 2026-02-10T11:42:27,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh 2026-02-10T11:42:27,853 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 2026-02-10T11:42:27,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2 2026-02-10T11:42:27,856 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 2026-02-10T11:42:27,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc 2026-02-10T11:42:27,860 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 2026-02-10T11:42:27,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe 2026-02-10T11:42:27,863 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 2026-02-10T11:42:27,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4 2026-02-10T11:42:27,867 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 2026-02-10T11:42:27,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74 2026-02-10T11:42:27,870 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 2026-02-10T11:42:27,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:42:27,874 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+ 2026-02-10T11:42:27,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:42:27,877 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 2026-02-10T11:42:27,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:42:27,881 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 2026-02-10T11:42:27,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2 2026-02-10T11:42:27,884 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 2026-02-10T11:42:27,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he 2026-02-10T11:42:27,887 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 2026-02-10T11:42:27,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm 2026-02-10T11:42:27,891 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 2026-02-10T11:42:27,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s 2026-02-10T11:42:27,894 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 2026-02-10T11:42:27,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf 2026-02-10T11:42:27,898 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 2026-02-10T11:42:27,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3 2026-02-10T11:42:27,901 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 2026-02-10T11:42:27,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots 2026-02-10T11:42:27,905 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 2026-02-10T11:42:27,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+ 2026-02-10T11:42:27,909 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+ 2026-02-10T11:42:27,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21 2026-02-10T11:42:27,912 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 2026-02-10T11:42:27,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3 2026-02-10T11:42:27,916 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 2026-02-10T11:42:27,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:42:27,919 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 2026-02-10T11:42:27,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18 2026-02-10T11:42:27,923 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 2026-02-10T11:42:27,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20 2026-02-10T11:42:27,926 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 2026-02-10T11:42:27,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34 2026-02-10T11:42:27,930 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 2026-02-10T11:42:27,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13 2026-02-10T11:42:27,934 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 2026-02-10T11:42:27,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:42:27,937 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 2026-02-10T11:42:27,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:42:27,940 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 2026-02-10T11:42:27,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:42:27,944 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 2026-02-10T11:42:27,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b 2026-02-10T11:42:27,947 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 2026-02-10T11:42:27,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O 2026-02-10T11:42:27,951 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 2026-02-10T11:42:27,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2 2026-02-10T11:42:28,005 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 2026-02-10T11:42:28,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76 2026-02-10T11:42:28,009 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 2026-02-10T11:42:28,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A 2026-02-10T11:42:28,012 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 2026-02-10T11:42:28,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2 2026-02-10T11:42:28,016 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 2026-02-10T11:42:28,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+ 2026-02-10T11:42:28,019 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+ 2026-02-10T11:42:28,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:42:28,023 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 2026-02-10T11:42:28,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs 2026-02-10T11:42:28,026 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 2026-02-10T11:42:28,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B 2026-02-10T11:42:28,030 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 2026-02-10T11:42:28,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17 2026-02-10T11:42:28,033 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 2026-02-10T11:42:28,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48 2026-02-10T11:42:28,037 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 2026-02-10T11:42:28,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1 2026-02-10T11:42:28,040 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 2026-02-10T11:42:28,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p 2026-02-10T11:42:28,044 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 2026-02-10T11:42:28,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45 2026-02-10T11:42:28,047 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 2026-02-10T11:42:28,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH 2026-02-10T11:42:28,051 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 2026-02-10T11:42:28,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20 2026-02-10T11:42:28,054 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 2026-02-10T11:42:28,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o 2026-02-10T11:42:28,058 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 2026-02-10T11:42:28,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh 2026-02-10T11:42:28,061 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 2026-02-10T11:42:28,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be 2026-02-10T11:42:28,065 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 2026-02-10T11:42:28,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20 2026-02-10T11:42:28,068 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 2026-02-10T11:42:28,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3 2026-02-10T11:42:28,072 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 2026-02-10T11:42:28,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1 2026-02-10T11:42:28,075 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 2026-02-10T11:42:28,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S 2026-02-10T11:42:28,078 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 2026-02-10T11:42:28,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80 2026-02-10T11:42:28,082 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 2026-02-10T11:42:28,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf 2026-02-10T11:42:28,085 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 2026-02-10T11:42:28,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14 2026-02-10T11:42:28,089 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 2026-02-10T11:42:28,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59 2026-02-10T11:42:28,092 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 2026-02-10T11:42:28,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3 2026-02-10T11:42:28,096 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 2026-02-10T11:42:28,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02 2026-02-10T11:42:28,100 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 2026-02-10T11:42:28,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:42:28,103 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 2026-02-10T11:42:28,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A 2026-02-10T11:42:28,107 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 2026-02-10T11:42:28,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl 2026-02-10T11:42:28,110 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 2026-02-10T11:42:28,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73 2026-02-10T11:42:28,114 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 2026-02-10T11:42:28,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo 2026-02-10T11:42:28,117 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 2026-02-10T11:42:28,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco 2026-02-10T11:42:28,121 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 2026-02-10T11:42:28,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao 2026-02-10T11:42:28,124 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 2026-02-10T11:42:28,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B 2026-02-10T11:42:28,128 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 2026-02-10T11:42:28,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si 2026-02-10T11:42:28,131 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 2026-02-10T11:42:28,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A 2026-02-10T11:42:28,135 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 2026-02-10T11:42:28,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p 2026-02-10T11:42:28,138 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 2026-02-10T11:42:28,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:42:28,142 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 2026-02-10T11:42:28,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:42:28,145 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 2026-02-10T11:42:28,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h 2026-02-10T11:42:28,149 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 2026-02-10T11:42:28,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:42:28,152 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+ 2026-02-10T11:42:28,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca 2026-02-10T11:42:28,156 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 2026-02-10T11:42:28,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2 2026-02-10T11:42:28,159 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 2026-02-10T11:42:28,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4 2026-02-10T11:42:28,163 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 2026-02-10T11:42:28,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:42:28,166 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 2026-02-10T11:42:28,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2 2026-02-10T11:42:28,170 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 2026-02-10T11:42:28,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne 2026-02-10T11:42:28,173 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 2026-02-10T11:42:28,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A 2026-02-10T11:42:28,177 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 2026-02-10T11:42:28,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B 2026-02-10T11:42:28,180 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 2026-02-10T11:42:28,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25 2026-02-10T11:42:28,184 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 2026-02-10T11:42:28,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20 2026-02-10T11:42:28,187 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 2026-02-10T11:42:28,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s 2026-02-10T11:42:28,191 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 2026-02-10T11:42:28,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B 2026-02-10T11:42:28,195 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 2026-02-10T11:42:28,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4 2026-02-10T11:42:28,198 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 2026-02-10T11:42:28,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10 2026-02-10T11:42:28,201 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 2026-02-10T11:42:28,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:42:28,205 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 2026-02-10T11:42:28,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k 2026-02-10T11:42:28,209 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 2026-02-10T11:42:28,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg 2026-02-10T11:42:28,212 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 2026-02-10T11:42:28,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67 2026-02-10T11:42:28,216 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 2026-02-10T11:42:28,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:42:28,220 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 2026-02-10T11:42:28,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78 2026-02-10T11:42:28,224 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 2026-02-10T11:42:28,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43 2026-02-10T11:42:28,228 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 2026-02-10T11:42:28,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts 2026-02-10T11:42:28,232 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 2026-02-10T11:42:28,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A 2026-02-10T11:42:28,236 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 2026-02-10T11:42:28,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3 2026-02-10T11:42:28,241 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 2026-02-10T11:42:28,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25 2026-02-10T11:42:28,245 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 2026-02-10T11:42:28,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:42:28,250 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 2026-02-10T11:42:28,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf 2026-02-10T11:42:28,254 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 2026-02-10T11:42:28,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2 2026-02-10T11:42:28,258 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 2026-02-10T11:42:28,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH 2026-02-10T11:42:28,262 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 2026-02-10T11:42:28,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a 2026-02-10T11:42:28,266 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 2026-02-10T11:42:28,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:42:28,271 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 2026-02-10T11:42:28,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B 2026-02-10T11:42:28,275 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 2026-02-10T11:42:28,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47 2026-02-10T11:42:28,280 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 2026-02-10T11:42:28,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4 2026-02-10T11:42:28,284 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 2026-02-10T11:42:28,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+ 2026-02-10T11:42:28,288 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+ 2026-02-10T11:42:28,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6 2026-02-10T11:42:28,292 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 2026-02-10T11:42:28,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B 2026-02-10T11:42:28,296 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 2026-02-10T11:42:28,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f 2026-02-10T11:42:28,301 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 2026-02-10T11:42:28,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:42:28,305 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 2026-02-10T11:42:28,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A 2026-02-10T11:42:28,310 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 2026-02-10T11:42:28,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s 2026-02-10T11:42:28,314 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 2026-02-10T11:42:28,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar 2026-02-10T11:42:28,318 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 2026-02-10T11:42:28,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2 2026-02-10T11:42:28,322 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 2026-02-10T11:42:28,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:42:28,327 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 2026-02-10T11:42:28,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s 2026-02-10T11:42:28,332 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 2026-02-10T11:42:28,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl 2026-02-10T11:42:28,336 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 2026-02-10T11:42:28,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40 2026-02-10T11:42:28,340 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 2026-02-10T11:42:28,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:42:28,344 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 2026-02-10T11:42:28,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b 2026-02-10T11:42:28,348 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 2026-02-10T11:42:28,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:42:28,353 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 2026-02-10T11:42:28,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12 2026-02-10T11:42:28,357 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 2026-02-10T11:42:28,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh 2026-02-10T11:42:28,361 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 2026-02-10T11:42:28,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B 2026-02-10T11:42:28,365 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 2026-02-10T11:42:28,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71 2026-02-10T11:42:28,370 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 2026-02-10T11:42:28,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5 2026-02-10T11:42:28,375 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 2026-02-10T11:42:28,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24 2026-02-10T11:42:28,379 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 2026-02-10T11:42:28,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2 2026-02-10T11:42:28,383 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 2026-02-10T11:42:28,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts 2026-02-10T11:42:28,388 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 2026-02-10T11:42:28,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2 2026-02-10T11:42:28,392 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 2026-02-10T11:42:28,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:42:28,397 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 2026-02-10T11:42:28,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr 2026-02-10T11:42:28,401 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 2026-02-10T11:42:28,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c 2026-02-10T11:42:28,405 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 2026-02-10T11:42:28,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2 2026-02-10T11:42:28,409 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 2026-02-10T11:42:28,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f 2026-02-10T11:42:28,413 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 2026-02-10T11:42:28,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn 2026-02-10T11:42:28,417 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 2026-02-10T11:42:28,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:42:28,421 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 2026-02-10T11:42:28,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+ 2026-02-10T11:42:28,425 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+ 2026-02-10T11:42:28,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3 2026-02-10T11:42:28,429 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 2026-02-10T11:42:28,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2 2026-02-10T11:42:28,434 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 2026-02-10T11:42:28,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+ 2026-02-10T11:42:28,438 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+ 2026-02-10T11:42:28,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39 2026-02-10T11:42:28,442 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 2026-02-10T11:42:28,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4 2026-02-10T11:42:28,446 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 2026-02-10T11:42:28,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al 2026-02-10T11:42:28,451 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 2026-02-10T11:42:28,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:42:28,456 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 2026-02-10T11:42:28,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn 2026-02-10T11:42:28,461 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 2026-02-10T11:42:28,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68 2026-02-10T11:42:28,465 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 2026-02-10T11:42:28,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl 2026-02-10T11:42:28,469 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 2026-02-10T11:42:28,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58 2026-02-10T11:42:28,473 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 2026-02-10T11:42:28,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:42:28,477 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 2026-02-10T11:42:28,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:42:28,481 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- 2026-02-10T11:42:28,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:42:28,485 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 2026-02-10T11:42:28,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8 2026-02-10T11:42:28,489 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 2026-02-10T11:42:28,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:42:28,494 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 2026-02-10T11:42:28,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp 2026-02-10T11:42:28,498 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 2026-02-10T11:42:28,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2 2026-02-10T11:42:28,503 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 2026-02-10T11:42:28,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2 2026-02-10T11:42:28,510 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 2026-02-10T11:42:28,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:42:28,513 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 2026-02-10T11:42:28,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18 2026-02-10T11:42:28,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:42:28,519 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 2026-02-10T11:42:28,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:42:28,523 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 2026-02-10T11:42:28,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s 2026-02-10T11:42:28,527 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 2026-02-10T11:42:28,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3 2026-02-10T11:42:28,531 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 2026-02-10T11:42:28,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:42:28,534 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 2026-02-10T11:42:28,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s 2026-02-10T11:42:28,538 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 2026-02-10T11:42:28,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:42:28,542 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 2026-02-10T11:42:28,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3 2026-02-10T11:42:28,545 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 2026-02-10T11:42:28,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3 2026-02-10T11:42:28,549 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 2026-02-10T11:42:28,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:42:28,553 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 2026-02-10T11:42:28,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:42:28,556 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 2026-02-10T11:42:28,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:42:28,560 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 2026-02-10T11:42:28,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3 2026-02-10T11:42:28,563 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 2026-02-10T11:42:28,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:42:28,567 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 2026-02-10T11:42:28,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:42:28,570 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 2026-02-10T11:42:28,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:42:28,574 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 2026-02-10T11:42:28,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:42:28,577 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 2026-02-10T11:42:28,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:42:28,581 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 2026-02-10T11:42:28,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3 2026-02-10T11:42:28,585 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 2026-02-10T11:42:28,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3 2026-02-10T11:42:28,588 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 2026-02-10T11:42:28,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:42:28,592 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 2026-02-10T11:42:28,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:42:28,595 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 2026-02-10T11:42:28,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s 2026-02-10T11:42:28,599 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 2026-02-10T11:42:28,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:42:28,603 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 2026-02-10T11:42:28,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2 2026-02-10T11:42:28,607 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 2026-02-10T11:42:28,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:42:28,610 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 2026-02-10T11:42:28,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:42:28,614 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 2026-02-10T11:42:28,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:42:28,618 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 2026-02-10T11:42:28,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22 2026-02-10T11:42:28,622 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 2026-02-10T11:42:28,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF 2026-02-10T11:42:28,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX 2026-02-10T11:42:28,627 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 2026-02-10T11:42:28,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:42:28,631 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- 2026-02-10T11:42:28,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:42:28,636 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+ 2026-02-10T11:42:28,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:42:28,640 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- 2026-02-10T11:42:28,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg 2026-02-10T11:42:28,644 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 2026-02-10T11:42:28,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T 2026-02-10T11:42:28,649 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 2026-02-10T11:42:28,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt 2026-02-10T11:42:28,653 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 2026-02-10T11:42:28,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG 2026-02-10T11:42:28,657 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 2026-02-10T11:42:28,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:42:28,660 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+ 2026-02-10T11:42:28,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt 2026-02-10T11:42:28,663 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 2026-02-10T11:42:28,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:42:28,667 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- 2026-02-10T11:42:28,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg 2026-02-10T11:42:28,670 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 2026-02-10T11:42:28,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt 2026-02-10T11:42:28,674 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 2026-02-10T11:42:28,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G 2026-02-10T11:42:28,677 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 2026-02-10T11:42:28,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG 2026-02-10T11:42:28,681 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 2026-02-10T11:42:28,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg 2026-02-10T11:42:28,684 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 2026-02-10T11:42:28,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT 2026-02-10T11:42:28,688 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 2026-02-10T11:42:28,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:42:28,691 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- 2026-02-10T11:42:28,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36 2026-02-10T11:42:28,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1 2026-02-10T11:42:28,697 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 2026-02-10T11:42:28,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10 2026-02-10T11:42:28,701 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 2026-02-10T11:42:28,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5 2026-02-10T11:42:28,704 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 2026-02-10T11:42:28,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7 2026-02-10T11:42:28,708 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 2026-02-10T11:42:28,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6 2026-02-10T11:42:28,712 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 2026-02-10T11:42:28,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15 2026-02-10T11:42:28,715 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 2026-02-10T11:42:28,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6 2026-02-10T11:42:28,719 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 2026-02-10T11:42:28,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16 2026-02-10T11:42:28,723 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 2026-02-10T11:42:28,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5 2026-02-10T11:42:28,726 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 2026-02-10T11:42:28,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4 2026-02-10T11:42:28,730 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 2026-02-10T11:42:28,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2 2026-02-10T11:42:28,733 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 2026-02-10T11:42:28,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4 2026-02-10T11:42:28,736 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 2026-02-10T11:42:28,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7 2026-02-10T11:42:28,740 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 2026-02-10T11:42:28,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4 2026-02-10T11:42:28,743 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 2026-02-10T11:42:28,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8 2026-02-10T11:42:28,747 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 2026-02-10T11:42:28,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10 2026-02-10T11:42:28,751 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 2026-02-10T11:42:28,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11 2026-02-10T11:42:28,754 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 2026-02-10T11:42:28,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14 2026-02-10T11:42:28,758 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 2026-02-10T11:42:28,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9 2026-02-10T11:42:28,762 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 2026-02-10T11:42:28,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6 2026-02-10T11:42:28,765 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 2026-02-10T11:42:28,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3 2026-02-10T11:42:28,769 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 2026-02-10T11:42:28,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14 2026-02-10T11:42:28,773 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 2026-02-10T11:42:28,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15 2026-02-10T11:42:28,777 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 2026-02-10T11:42:28,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12 2026-02-10T11:42:28,780 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 2026-02-10T11:42:28,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13 2026-02-10T11:42:28,783 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 2026-02-10T11:42:28,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1 2026-02-10T11:42:28,786 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 2026-02-10T11:42:28,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3 2026-02-10T11:42:28,790 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 2026-02-10T11:42:28,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4 2026-02-10T11:42:28,793 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 2026-02-10T11:42:28,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11 2026-02-10T11:42:28,797 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 2026-02-10T11:42:28,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3 2026-02-10T11:42:28,800 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 2026-02-10T11:42:28,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1 2026-02-10T11:42:28,804 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 2026-02-10T11:42:28,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12 2026-02-10T11:42:28,807 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 2026-02-10T11:42:28,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5 2026-02-10T11:42:28,811 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 2026-02-10T11:42:28,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2 2026-02-10T11:42:28,814 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 2026-02-10T11:42:28,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8 2026-02-10T11:42:28,818 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 2026-02-10T11:42:28,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9 2026-02-10T11:42:28,821 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 2026-02-10T11:42:28,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13 2026-02-10T11:42:28,825 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 2026-02-10T11:42:28,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2 2026-02-10T11:42:28,829 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 2026-02-10T11:42:28,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10 2026-02-10T11:42:28,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2 2026-02-10T11:42:28,835 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 2026-02-10T11:42:28,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9 2026-02-10T11:42:28,839 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 2026-02-10T11:42:28,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6 2026-02-10T11:42:28,843 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 2026-02-10T11:42:28,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1 2026-02-10T11:42:28,847 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 2026-02-10T11:42:28,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2 2026-02-10T11:42:28,851 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 2026-02-10T11:42:28,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1 2026-02-10T11:42:28,855 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 2026-02-10T11:42:28,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7 2026-02-10T11:42:28,859 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 2026-02-10T11:42:28,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10 2026-02-10T11:42:28,862 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 2026-02-10T11:42:28,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5 2026-02-10T11:42:28,866 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 2026-02-10T11:42:28,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4 2026-02-10T11:42:28,870 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 2026-02-10T11:42:28,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10 2026-02-10T11:42:28,874 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 2026-02-10T11:42:28,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9 2026-02-10T11:42:28,878 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 2026-02-10T11:42:28,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3 2026-02-10T11:42:28,881 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 2026-02-10T11:42:28,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5 2026-02-10T11:42:28,885 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 2026-02-10T11:42:28,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4 2026-02-10T11:42:28,888 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 2026-02-10T11:42:28,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7 2026-02-10T11:42:28,892 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 2026-02-10T11:42:28,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8 2026-02-10T11:42:28,895 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 2026-02-10T11:42:28,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8 2026-02-10T11:42:28,900 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 2026-02-10T11:42:28,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6 2026-02-10T11:42:28,903 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 2026-02-10T11:42:28,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3 2026-02-10T11:42:28,907 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 2026-02-10T11:42:28,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC 2026-02-10T11:42:28,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:42:28,915 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 2026-02-10T11:42:28,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20 2026-02-10T11:42:28,919 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 2026-02-10T11:42:28,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8 2026-02-10T11:42:28,923 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 2026-02-10T11:42:28,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh 2026-02-10T11:42:28,927 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 2026-02-10T11:42:28,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc 2026-02-10T11:42:28,931 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 2026-02-10T11:42:28,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh- 2026-02-10T11:42:28,934 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- 2026-02-10T11:42:28,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19 2026-02-10T11:42:28,938 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 2026-02-10T11:42:28,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:42:28,942 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 2026-02-10T11:42:28,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:42:28,946 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 2026-02-10T11:42:28,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf 2026-02-10T11:42:28,949 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 2026-02-10T11:42:28,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co 2026-02-10T11:42:28,953 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 2026-02-10T11:42:28,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots 2026-02-10T11:42:28,956 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 2026-02-10T11:42:28,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:42:28,960 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 2026-02-10T11:42:28,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07 2026-02-10T11:42:28,964 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 2026-02-10T11:42:28,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:42:28,968 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 2026-02-10T11:42:28,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2 2026-02-10T11:42:28,971 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 2026-02-10T11:42:28,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:42:28,974 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 2026-02-10T11:42:28,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4 2026-02-10T11:42:28,978 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 2026-02-10T11:42:28,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f- 2026-02-10T11:42:28,981 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- 2026-02-10T11:42:28,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O 2026-02-10T11:42:28,985 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 2026-02-10T11:42:28,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2 2026-02-10T11:42:28,988 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 2026-02-10T11:42:28,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2 2026-02-10T11:42:28,992 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 2026-02-10T11:42:28,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3 2026-02-10T11:42:28,995 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 2026-02-10T11:42:28,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17 2026-02-10T11:42:28,999 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 2026-02-10T11:42:29,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22 2026-02-10T11:42:29,002 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 2026-02-10T11:42:29,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14 2026-02-10T11:42:29,006 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 2026-02-10T11:42:29,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13 2026-02-10T11:42:29,009 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 2026-02-10T11:42:29,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H 2026-02-10T11:42:29,013 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 2026-02-10T11:42:29,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:42:29,017 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 2026-02-10T11:42:29,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS 2026-02-10T11:42:29,020 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 2026-02-10T11:42:29,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl- 2026-02-10T11:42:29,023 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- 2026-02-10T11:42:29,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:42:29,027 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 2026-02-10T11:42:29,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S 2026-02-10T11:42:29,030 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 2026-02-10T11:42:29,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf 2026-02-10T11:42:29,033 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 2026-02-10T11:42:29,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04 2026-02-10T11:42:29,037 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 2026-02-10T11:42:29,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3 2026-02-10T11:42:29,041 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 2026-02-10T11:42:29,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02 2026-02-10T11:42:29,044 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 2026-02-10T11:42:29,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco 2026-02-10T11:42:29,048 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 2026-02-10T11:42:29,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16 2026-02-10T11:42:29,052 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 2026-02-10T11:42:29,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h 2026-02-10T11:42:29,055 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 2026-02-10T11:42:29,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18 2026-02-10T11:42:29,058 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 2026-02-10T11:42:29,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:42:29,062 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 2026-02-10T11:42:29,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6 2026-02-10T11:42:29,065 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 2026-02-10T11:42:29,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:42:29,069 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 2026-02-10T11:42:29,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4 2026-02-10T11:42:29,072 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 2026-02-10T11:42:29,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2 2026-02-10T11:42:29,076 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 2026-02-10T11:42:29,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11 2026-02-10T11:42:29,079 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 2026-02-10T11:42:29,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:42:29,083 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 2026-02-10T11:42:29,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:42:29,087 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 2026-02-10T11:42:29,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01 2026-02-10T11:42:29,090 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 2026-02-10T11:42:29,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10 2026-02-10T11:42:29,094 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 2026-02-10T11:42:29,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:42:29,097 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 2026-02-10T11:42:29,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:42:29,101 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 2026-02-10T11:42:29,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts 2026-02-10T11:42:29,104 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 2026-02-10T11:42:29,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2 2026-02-10T11:42:29,108 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 2026-02-10T11:42:29,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5 2026-02-10T11:42:29,111 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 2026-02-10T11:42:29,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12 2026-02-10T11:42:29,115 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 2026-02-10T11:42:29,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06 2026-02-10T11:42:29,118 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 2026-02-10T11:42:29,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:42:29,122 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 2026-02-10T11:42:29,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15 2026-02-10T11:42:29,125 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 2026-02-10T11:42:29,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7 2026-02-10T11:42:29,129 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 2026-02-10T11:42:29,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O 2026-02-10T11:42:29,132 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 2026-02-10T11:42:29,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08 2026-02-10T11:42:29,136 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 2026-02-10T11:42:29,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:42:29,140 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 2026-02-10T11:42:29,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05 2026-02-10T11:42:29,143 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 2026-02-10T11:42:29,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:42:29,147 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 2026-02-10T11:42:29,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f 2026-02-10T11:42:29,150 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 2026-02-10T11:42:29,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl 2026-02-10T11:42:29,154 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 2026-02-10T11:42:29,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2 2026-02-10T11:42:29,157 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 2026-02-10T11:42:29,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts 2026-02-10T11:42:29,161 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 2026-02-10T11:42:29,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:42:29,164 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 2026-02-10T11:42:29,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03 2026-02-10T11:42:29,168 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 2026-02-10T11:42:29,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:42:29,172 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 2026-02-10T11:42:29,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:42:29,175 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 2026-02-10T11:42:29,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts 2026-02-10T11:42:29,179 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 2026-02-10T11:42:29,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2 2026-02-10T11:42:29,182 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 2026-02-10T11:42:29,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o 2026-02-10T11:42:29,186 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 2026-02-10T11:42:29,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:42:29,190 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 2026-02-10T11:42:29,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f 2026-02-10T11:42:29,193 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 2026-02-10T11:42:29,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3 2026-02-10T11:42:29,197 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 2026-02-10T11:42:29,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21 2026-02-10T11:42:29,200 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 2026-02-10T11:42:29,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn 2026-02-10T11:42:29,205 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 2026-02-10T11:42:29,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl 2026-02-10T11:42:29,209 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 2026-02-10T11:42:29,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5 2026-02-10T11:42:29,212 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 2026-02-10T11:42:29,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH 2026-02-10T11:42:29,216 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 2026-02-10T11:42:29,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09 2026-02-10T11:42:29,220 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 2026-02-10T11:42:29,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel 2026-02-10T11:42:29,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3 2026-02-10T11:42:29,226 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 2026-02-10T11:42:29,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42 2026-02-10T11:42:29,230 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 2026-02-10T11:42:29,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71 2026-02-10T11:42:29,234 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 2026-02-10T11:42:29,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:42:29,237 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 2026-02-10T11:42:29,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0 2026-02-10T11:42:29,240 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 2026-02-10T11:42:29,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42 2026-02-10T11:42:29,244 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 2026-02-10T11:42:29,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42 2026-02-10T11:42:29,248 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 2026-02-10T11:42:29,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3 2026-02-10T11:42:29,252 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 2026-02-10T11:42:29,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:42:29,255 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 2026-02-10T11:42:29,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1 2026-02-10T11:42:29,259 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 2026-02-10T11:42:29,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0 2026-02-10T11:42:29,263 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 2026-02-10T11:42:29,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0 2026-02-10T11:42:29,267 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 2026-02-10T11:42:29,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2 2026-02-10T11:42:29,271 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 2026-02-10T11:42:29,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4 2026-02-10T11:42:29,274 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 2026-02-10T11:42:29,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43 2026-02-10T11:42:29,277 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 2026-02-10T11:42:29,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71 2026-02-10T11:42:29,281 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 2026-02-10T11:42:29,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:42:29,284 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 2026-02-10T11:42:29,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2 2026-02-10T11:42:29,288 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 2026-02-10T11:42:29,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41 2026-02-10T11:42:29,292 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 2026-02-10T11:42:29,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72 2026-02-10T11:42:29,295 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 2026-02-10T11:42:29,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1 2026-02-10T11:42:29,298 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 2026-02-10T11:42:29,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72 2026-02-10T11:42:29,302 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 2026-02-10T11:42:29,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41 2026-02-10T11:42:29,306 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 2026-02-10T11:42:29,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2 2026-02-10T11:42:29,310 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 2026-02-10T11:42:29,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1 2026-02-10T11:42:29,314 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 2026-02-10T11:42:29,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41 2026-02-10T11:42:29,318 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 2026-02-10T11:42:29,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3 2026-02-10T11:42:29,321 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 2026-02-10T11:42:29,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2 2026-02-10T11:42:29,324 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 2026-02-10T11:42:29,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0 2026-02-10T11:42:29,328 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 2026-02-10T11:42:29,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0 2026-02-10T11:42:29,332 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 2026-02-10T11:42:29,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2 2026-02-10T11:42:29,336 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 2026-02-10T11:42:29,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66 2026-02-10T11:42:29,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A 2026-02-10T11:42:29,348 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 2026-02-10T11:42:29,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B 2026-02-10T11:42:29,355 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 2026-02-10T11:42:29,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B 2026-02-10T11:42:29,358 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 2026-02-10T11:42:29,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A 2026-02-10T11:42:29,362 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 2026-02-10T11:42:29,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07 2026-02-10T11:42:29,365 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 2026-02-10T11:42:29,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A 2026-02-10T11:42:29,369 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 2026-02-10T11:42:29,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A 2026-02-10T11:42:29,373 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 2026-02-10T11:42:29,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B 2026-02-10T11:42:29,376 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 2026-02-10T11:42:29,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A 2026-02-10T11:42:29,379 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 2026-02-10T11:42:29,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A 2026-02-10T11:42:29,382 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 2026-02-10T11:42:29,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B 2026-02-10T11:42:29,386 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 2026-02-10T11:42:29,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B 2026-02-10T11:42:29,389 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 2026-02-10T11:42:29,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36 2026-02-10T11:42:29,393 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 2026-02-10T11:42:29,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B 2026-02-10T11:42:29,396 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 2026-02-10T11:42:29,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02 2026-02-10T11:42:29,400 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 2026-02-10T11:42:29,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B 2026-02-10T11:42:29,403 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 2026-02-10T11:42:29,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A 2026-02-10T11:42:29,407 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 2026-02-10T11:42:29,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A 2026-02-10T11:42:29,410 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 2026-02-10T11:42:29,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B 2026-02-10T11:42:29,414 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 2026-02-10T11:42:29,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64 2026-02-10T11:42:29,418 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 2026-02-10T11:42:29,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A 2026-02-10T11:42:29,421 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 2026-02-10T11:42:29,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12 2026-02-10T11:42:29,424 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 2026-02-10T11:42:29,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A 2026-02-10T11:42:29,428 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 2026-02-10T11:42:29,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A 2026-02-10T11:42:29,432 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 2026-02-10T11:42:29,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A 2026-02-10T11:42:29,435 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 2026-02-10T11:42:29,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B 2026-02-10T11:42:29,439 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 2026-02-10T11:42:29,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B 2026-02-10T11:42:29,442 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 2026-02-10T11:42:29,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B 2026-02-10T11:42:29,446 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 2026-02-10T11:42:29,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A 2026-02-10T11:42:29,449 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 2026-02-10T11:42:29,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27 2026-02-10T11:42:29,453 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 2026-02-10T11:42:29,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A 2026-02-10T11:42:29,456 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 2026-02-10T11:42:29,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18 2026-02-10T11:42:29,460 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 2026-02-10T11:42:29,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B 2026-02-10T11:42:29,463 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 2026-02-10T11:42:29,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A 2026-02-10T11:42:29,467 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 2026-02-10T11:42:29,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A 2026-02-10T11:42:29,471 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 2026-02-10T11:42:29,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34 2026-02-10T11:42:29,474 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 2026-02-10T11:42:29,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13 2026-02-10T11:42:29,478 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 2026-02-10T11:42:29,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A 2026-02-10T11:42:29,482 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 2026-02-10T11:42:29,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62 2026-02-10T11:42:29,486 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 2026-02-10T11:42:29,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A 2026-02-10T11:42:29,490 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 2026-02-10T11:42:29,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B 2026-02-10T11:42:29,493 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 2026-02-10T11:42:29,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B 2026-02-10T11:42:29,497 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 2026-02-10T11:42:29,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A 2026-02-10T11:42:29,500 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 2026-02-10T11:42:29,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B 2026-02-10T11:42:29,504 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 2026-02-10T11:42:29,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A 2026-02-10T11:42:29,508 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 2026-02-10T11:42:29,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A 2026-02-10T11:42:29,512 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 2026-02-10T11:42:29,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B 2026-02-10T11:42:29,515 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 2026-02-10T11:42:29,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48 2026-02-10T11:42:29,519 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 2026-02-10T11:42:29,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B 2026-02-10T11:42:29,522 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 2026-02-10T11:42:29,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45 2026-02-10T11:42:29,526 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 2026-02-10T11:42:29,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46 2026-02-10T11:42:29,530 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 2026-02-10T11:42:29,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B 2026-02-10T11:42:29,534 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 2026-02-10T11:42:29,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A 2026-02-10T11:42:29,539 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 2026-02-10T11:42:29,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66 2026-02-10T11:42:29,543 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 2026-02-10T11:42:29,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B 2026-02-10T11:42:29,546 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 2026-02-10T11:42:29,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38 2026-02-10T11:42:29,550 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 2026-02-10T11:42:29,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49 2026-02-10T11:42:29,554 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 2026-02-10T11:42:29,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A 2026-02-10T11:42:29,557 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 2026-02-10T11:42:29,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A 2026-02-10T11:42:29,561 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 2026-02-10T11:42:29,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A 2026-02-10T11:42:29,565 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 2026-02-10T11:42:29,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05 2026-02-10T11:42:29,568 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 2026-02-10T11:42:29,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20 2026-02-10T11:42:29,571 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 2026-02-10T11:42:29,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01 2026-02-10T11:42:29,574 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 2026-02-10T11:42:29,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A 2026-02-10T11:42:29,578 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 2026-02-10T11:42:29,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55 2026-02-10T11:42:29,581 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 2026-02-10T11:42:29,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A 2026-02-10T11:42:29,585 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 2026-02-10T11:42:29,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61 2026-02-10T11:42:29,588 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 2026-02-10T11:42:29,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B 2026-02-10T11:42:29,592 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 2026-02-10T11:42:29,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A 2026-02-10T11:42:29,595 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 2026-02-10T11:42:29,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B 2026-02-10T11:42:29,599 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 2026-02-10T11:42:29,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59 2026-02-10T11:42:29,603 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 2026-02-10T11:42:29,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08 2026-02-10T11:42:29,606 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 2026-02-10T11:42:29,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B 2026-02-10T11:42:29,609 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 2026-02-10T11:42:29,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B 2026-02-10T11:42:29,613 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 2026-02-10T11:42:29,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A 2026-02-10T11:42:29,616 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 2026-02-10T11:42:29,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B 2026-02-10T11:42:29,620 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 2026-02-10T11:42:29,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A 2026-02-10T11:42:29,623 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 2026-02-10T11:42:29,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B 2026-02-10T11:42:29,627 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 2026-02-10T11:42:29,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41 2026-02-10T11:42:29,631 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 2026-02-10T11:42:29,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63 2026-02-10T11:42:29,634 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 2026-02-10T11:42:29,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B 2026-02-10T11:42:29,638 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 2026-02-10T11:42:29,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B 2026-02-10T11:42:29,642 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 2026-02-10T11:42:29,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B 2026-02-10T11:42:29,645 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 2026-02-10T11:42:29,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B 2026-02-10T11:42:29,649 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 2026-02-10T11:42:29,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04 2026-02-10T11:42:29,652 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 2026-02-10T11:42:29,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A 2026-02-10T11:42:29,655 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 2026-02-10T11:42:29,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A 2026-02-10T11:42:29,659 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 2026-02-10T11:42:29,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16 2026-02-10T11:42:29,662 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 2026-02-10T11:42:29,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A 2026-02-10T11:42:29,666 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 2026-02-10T11:42:29,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B 2026-02-10T11:42:29,669 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 2026-02-10T11:42:29,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B 2026-02-10T11:42:29,672 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 2026-02-10T11:42:29,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A 2026-02-10T11:42:29,676 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 2026-02-10T11:42:29,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B 2026-02-10T11:42:29,679 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 2026-02-10T11:42:29,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A 2026-02-10T11:42:29,683 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 2026-02-10T11:42:29,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B 2026-02-10T11:42:29,687 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 2026-02-10T11:42:29,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A 2026-02-10T11:42:29,690 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 2026-02-10T11:42:29,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44 2026-02-10T11:42:29,694 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 2026-02-10T11:42:29,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A 2026-02-10T11:42:29,697 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 2026-02-10T11:42:29,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B 2026-02-10T11:42:29,700 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 2026-02-10T11:42:29,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A 2026-02-10T11:42:29,704 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 2026-02-10T11:42:29,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25 2026-02-10T11:42:29,707 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 2026-02-10T11:42:29,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30 2026-02-10T11:42:29,711 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 2026-02-10T11:42:29,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54 2026-02-10T11:42:29,714 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 2026-02-10T11:42:29,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B 2026-02-10T11:42:29,718 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 2026-02-10T11:42:29,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B 2026-02-10T11:42:29,722 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 2026-02-10T11:42:29,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A 2026-02-10T11:42:29,725 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 2026-02-10T11:42:29,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B 2026-02-10T11:42:29,729 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 2026-02-10T11:42:29,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B 2026-02-10T11:42:29,732 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 2026-02-10T11:42:29,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B 2026-02-10T11:42:29,736 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 2026-02-10T11:42:29,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A 2026-02-10T11:42:29,739 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 2026-02-10T11:42:29,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B 2026-02-10T11:42:29,742 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 2026-02-10T11:42:29,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53 2026-02-10T11:42:29,746 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 2026-02-10T11:42:29,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B 2026-02-10T11:42:29,749 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 2026-02-10T11:42:29,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B 2026-02-10T11:42:29,752 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 2026-02-10T11:42:29,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B 2026-02-10T11:42:29,756 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 2026-02-10T11:42:29,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43 2026-02-10T11:42:29,760 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 2026-02-10T11:42:29,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57 2026-02-10T11:42:29,763 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 2026-02-10T11:42:29,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B 2026-02-10T11:42:29,767 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 2026-02-10T11:42:29,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56 2026-02-10T11:42:29,770 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 2026-02-10T11:42:29,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09 2026-02-10T11:42:29,774 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 2026-02-10T11:42:29,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37 2026-02-10T11:42:29,778 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 2026-02-10T11:42:29,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22 2026-02-10T11:42:29,781 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 2026-02-10T11:42:29,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A 2026-02-10T11:42:29,785 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 2026-02-10T11:42:29,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A 2026-02-10T11:42:29,788 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 2026-02-10T11:42:29,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A 2026-02-10T11:42:29,791 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 2026-02-10T11:42:29,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A 2026-02-10T11:42:29,795 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 2026-02-10T11:42:29,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23 2026-02-10T11:42:29,798 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 2026-02-10T11:42:29,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B 2026-02-10T11:42:29,802 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 2026-02-10T11:42:29,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A 2026-02-10T11:42:29,805 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 2026-02-10T11:42:29,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A 2026-02-10T11:42:29,808 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 2026-02-10T11:42:29,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A 2026-02-10T11:42:29,812 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 2026-02-10T11:42:29,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A 2026-02-10T11:42:29,815 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 2026-02-10T11:42:29,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A 2026-02-10T11:42:29,819 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 2026-02-10T11:42:29,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B 2026-02-10T11:42:29,822 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 2026-02-10T11:42:29,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A 2026-02-10T11:42:29,825 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 2026-02-10T11:42:29,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10 2026-02-10T11:42:29,829 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 2026-02-10T11:42:29,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47 2026-02-10T11:42:29,832 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 2026-02-10T11:42:29,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06 2026-02-10T11:42:29,835 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 2026-02-10T11:42:29,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28 2026-02-10T11:42:29,839 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 2026-02-10T11:42:29,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B 2026-02-10T11:42:29,842 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 2026-02-10T11:42:29,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26 2026-02-10T11:42:29,846 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 2026-02-10T11:42:29,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A 2026-02-10T11:42:29,850 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 2026-02-10T11:42:29,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A 2026-02-10T11:42:29,853 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 2026-02-10T11:42:29,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A 2026-02-10T11:42:29,857 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 2026-02-10T11:42:29,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40 2026-02-10T11:42:29,860 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 2026-02-10T11:42:29,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50 2026-02-10T11:42:29,864 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 2026-02-10T11:42:29,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A 2026-02-10T11:42:29,867 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 2026-02-10T11:42:29,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B 2026-02-10T11:42:29,871 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 2026-02-10T11:42:29,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51 2026-02-10T11:42:29,874 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 2026-02-10T11:42:29,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B 2026-02-10T11:42:29,878 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 2026-02-10T11:42:29,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11 2026-02-10T11:42:29,881 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 2026-02-10T11:42:29,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32 2026-02-10T11:42:29,884 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 2026-02-10T11:42:29,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B 2026-02-10T11:42:29,888 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 2026-02-10T11:42:29,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A 2026-02-10T11:42:29,891 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 2026-02-10T11:42:29,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B 2026-02-10T11:42:29,895 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 2026-02-10T11:42:29,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A 2026-02-10T11:42:29,898 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 2026-02-10T11:42:29,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24 2026-02-10T11:42:29,902 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 2026-02-10T11:42:29,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A 2026-02-10T11:42:29,905 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 2026-02-10T11:42:29,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15 2026-02-10T11:42:29,909 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15 2026-02-10T11:42:29,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B 2026-02-10T11:42:29,912 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 2026-02-10T11:42:29,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B 2026-02-10T11:42:29,916 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 2026-02-10T11:42:29,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B 2026-02-10T11:42:29,919 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 2026-02-10T11:42:29,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03 2026-02-10T11:42:29,923 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 2026-02-10T11:42:29,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A 2026-02-10T11:42:29,926 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 2026-02-10T11:42:29,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17 2026-02-10T11:42:29,930 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 2026-02-10T11:42:29,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B 2026-02-10T11:42:29,933 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 2026-02-10T11:42:29,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B 2026-02-10T11:42:29,937 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 2026-02-10T11:42:29,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21 2026-02-10T11:42:29,940 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 2026-02-10T11:42:29,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A 2026-02-10T11:42:29,944 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 2026-02-10T11:42:29,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A 2026-02-10T11:42:29,948 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 2026-02-10T11:42:29,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B 2026-02-10T11:42:29,953 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 2026-02-10T11:42:29,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B 2026-02-10T11:42:29,958 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 2026-02-10T11:42:29,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B 2026-02-10T11:42:29,963 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 2026-02-10T11:42:29,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60 2026-02-10T11:42:29,967 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 2026-02-10T11:42:29,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A 2026-02-10T11:42:29,970 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 2026-02-10T11:42:29,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52 2026-02-10T11:42:29,973 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 2026-02-10T11:42:29,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42 2026-02-10T11:42:29,976 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 2026-02-10T11:42:29,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A 2026-02-10T11:42:29,980 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 2026-02-10T11:42:29,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39 2026-02-10T11:42:29,983 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 2026-02-10T11:42:29,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35 2026-02-10T11:42:29,987 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 2026-02-10T11:42:29,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B 2026-02-10T11:42:29,990 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 2026-02-10T11:42:29,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14 2026-02-10T11:42:29,994 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 2026-02-10T11:42:29,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B 2026-02-10T11:42:29,997 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 2026-02-10T11:42:30,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B 2026-02-10T11:42:30,001 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 2026-02-10T11:42:30,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19 2026-02-10T11:42:30,004 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 2026-02-10T11:42:30,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33 2026-02-10T11:42:30,008 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 2026-02-10T11:42:30,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A 2026-02-10T11:42:30,011 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 2026-02-10T11:42:30,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B 2026-02-10T11:42:30,015 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 2026-02-10T11:42:30,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B 2026-02-10T11:42:30,018 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 2026-02-10T11:42:30,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65 2026-02-10T11:42:30,022 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 2026-02-10T11:42:30,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58 2026-02-10T11:42:30,025 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 2026-02-10T11:42:30,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29 2026-02-10T11:42:30,029 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 2026-02-10T11:42:30,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A 2026-02-10T11:42:30,032 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 2026-02-10T11:42:30,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B 2026-02-10T11:42:30,036 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 2026-02-10T11:42:30,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A 2026-02-10T11:42:30,040 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 2026-02-10T11:42:30,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B 2026-02-10T11:42:30,043 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 2026-02-10T11:42:30,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A 2026-02-10T11:42:30,047 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 2026-02-10T11:42:30,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31 2026-02-10T11:42:30,051 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 2026-02-10T11:42:30,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16 2026-02-10T11:42:30,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228 2026-02-10T11:42:30,058 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 2026-02-10T11:42:30,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A 2026-02-10T11:42:30,062 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 2026-02-10T11:42:30,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A 2026-02-10T11:42:30,066 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 2026-02-10T11:42:30,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A 2026-02-10T11:42:30,070 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 2026-02-10T11:42:30,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231 2026-02-10T11:42:30,074 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 2026-02-10T11:42:30,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214 2026-02-10T11:42:30,078 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 2026-02-10T11:42:30,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212 2026-02-10T11:42:30,082 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 2026-02-10T11:42:30,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230 2026-02-10T11:42:30,085 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 2026-02-10T11:42:30,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B 2026-02-10T11:42:30,089 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 2026-02-10T11:42:30,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187 2026-02-10T11:42:30,093 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 2026-02-10T11:42:30,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147 2026-02-10T11:42:30,096 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 2026-02-10T11:42:30,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213 2026-02-10T11:42:30,100 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 2026-02-10T11:42:30,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B 2026-02-10T11:42:30,103 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 2026-02-10T11:42:30,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A 2026-02-10T11:42:30,107 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 2026-02-10T11:42:30,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A 2026-02-10T11:42:30,111 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 2026-02-10T11:42:30,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A 2026-02-10T11:42:30,115 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 2026-02-10T11:42:30,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B 2026-02-10T11:42:30,118 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 2026-02-10T11:42:30,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A 2026-02-10T11:42:30,122 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 2026-02-10T11:42:30,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A 2026-02-10T11:42:30,126 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 2026-02-10T11:42:30,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148 2026-02-10T11:42:30,129 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 2026-02-10T11:42:30,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150 2026-02-10T11:42:30,132 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 2026-02-10T11:42:30,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229 2026-02-10T11:42:30,136 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 2026-02-10T11:42:30,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B 2026-02-10T11:42:30,139 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 2026-02-10T11:42:30,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B 2026-02-10T11:42:30,143 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 2026-02-10T11:42:30,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B 2026-02-10T11:42:30,146 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 2026-02-10T11:42:30,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A 2026-02-10T11:42:30,150 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 2026-02-10T11:42:30,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008 2026-02-10T11:42:30,153 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 2026-02-10T11:42:30,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B 2026-02-10T11:42:30,157 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 2026-02-10T11:42:30,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202 2026-02-10T11:42:30,160 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 2026-02-10T11:42:30,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B 2026-02-10T11:42:30,163 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 2026-02-10T11:42:30,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152 2026-02-10T11:42:30,167 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 2026-02-10T11:42:30,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A 2026-02-10T11:42:30,170 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 2026-02-10T11:42:30,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B 2026-02-10T11:42:30,173 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 2026-02-10T11:42:30,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227 2026-02-10T11:42:30,177 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 2026-02-10T11:42:30,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A 2026-02-10T11:42:30,181 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 2026-02-10T11:42:30,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A 2026-02-10T11:42:30,184 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 2026-02-10T11:42:30,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B 2026-02-10T11:42:30,188 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 2026-02-10T11:42:30,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B 2026-02-10T11:42:30,191 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 2026-02-10T11:42:30,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A 2026-02-10T11:42:30,195 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 2026-02-10T11:42:30,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B 2026-02-10T11:42:30,198 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 2026-02-10T11:42:30,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144 2026-02-10T11:42:30,201 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 2026-02-10T11:42:30,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B 2026-02-10T11:42:30,205 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 2026-02-10T11:42:30,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B 2026-02-10T11:42:30,209 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 2026-02-10T11:42:30,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A 2026-02-10T11:42:30,214 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 2026-02-10T11:42:30,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A 2026-02-10T11:42:30,218 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 2026-02-10T11:42:30,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B 2026-02-10T11:42:30,221 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 2026-02-10T11:42:30,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A 2026-02-10T11:42:30,226 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 2026-02-10T11:42:30,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B 2026-02-10T11:42:30,229 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 2026-02-10T11:42:30,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27 2026-02-10T11:42:30,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5 2026-02-10T11:42:30,235 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 2026-02-10T11:42:30,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:42:30,238 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 2026-02-10T11:42:30,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:42:30,242 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 2026-02-10T11:42:30,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:42:30,246 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 2026-02-10T11:42:30,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op 2026-02-10T11:42:30,249 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 2026-02-10T11:42:30,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:42:30,253 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 2026-02-10T11:42:30,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:42:30,257 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 2026-02-10T11:42:30,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm 2026-02-10T11:42:30,260 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 2026-02-10T11:42:30,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:42:30,264 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 2026-02-10T11:42:30,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c 2026-02-10T11:42:30,267 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 2026-02-10T11:42:30,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:42:30,271 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 2026-02-10T11:42:30,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:42:30,274 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 2026-02-10T11:42:30,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:42:30,278 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 2026-02-10T11:42:30,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O 2026-02-10T11:42:30,284 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 2026-02-10T11:42:30,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:42:30,288 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 2026-02-10T11:42:30,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:42:30,291 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 2026-02-10T11:42:30,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es 2026-02-10T11:42:30,294 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 2026-02-10T11:42:30,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:42:30,297 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 2026-02-10T11:42:30,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:42:30,301 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 2026-02-10T11:42:30,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:42:30,305 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 2026-02-10T11:42:30,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b 2026-02-10T11:42:30,308 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 2026-02-10T11:42:30,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4 2026-02-10T11:42:30,312 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 2026-02-10T11:42:30,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:42:30,315 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 2026-02-10T11:42:30,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3 2026-02-10T11:42:30,319 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 2026-02-10T11:42:30,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6 2026-02-10T11:42:30,322 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 2026-02-10T11:42:30,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:42:30,326 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 2026-02-10T11:42:30,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20 2026-02-10T11:42:30,329 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 2026-02-10T11:42:30,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:42:30,333 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 2026-02-10T11:42:30,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2 2026-02-10T11:42:30,336 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 2026-02-10T11:42:30,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:42:30,339 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 2026-02-10T11:42:30,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA 2026-02-10T11:42:30,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18 2026-02-10T11:42:30,345 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 2026-02-10T11:42:30,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n 2026-02-10T11:42:30,349 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 2026-02-10T11:42:30,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o 2026-02-10T11:42:30,352 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 2026-02-10T11:42:30,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24 2026-02-10T11:42:30,356 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 2026-02-10T11:42:30,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si- 2026-02-10T11:42:30,360 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- 2026-02-10T11:42:30,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15 2026-02-10T11:42:30,363 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 2026-02-10T11:42:30,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n 2026-02-10T11:42:30,367 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 2026-02-10T11:42:30,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21 2026-02-10T11:42:30,370 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 2026-02-10T11:42:30,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17 2026-02-10T11:42:30,374 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 2026-02-10T11:42:30,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n 2026-02-10T11:42:30,377 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 2026-02-10T11:42:30,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p- 2026-02-10T11:42:30,380 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- 2026-02-10T11:42:30,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13 2026-02-10T11:42:30,384 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 2026-02-10T11:42:30,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n 2026-02-10T11:42:30,387 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 2026-02-10T11:42:30,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n 2026-02-10T11:42:30,390 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 2026-02-10T11:42:30,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n 2026-02-10T11:42:30,394 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 2026-02-10T11:42:30,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22 2026-02-10T11:42:30,398 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 2026-02-10T11:42:30,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n 2026-02-10T11:42:30,401 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 2026-02-10T11:42:30,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14 2026-02-10T11:42:30,405 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 2026-02-10T11:42:30,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f 2026-02-10T11:42:30,408 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 2026-02-10T11:42:30,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n 2026-02-10T11:42:30,412 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 2026-02-10T11:42:30,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n 2026-02-10T11:42:30,416 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 2026-02-10T11:42:30,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n 2026-02-10T11:42:30,419 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 2026-02-10T11:42:30,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8 2026-02-10T11:42:30,422 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 2026-02-10T11:42:30,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11 2026-02-10T11:42:30,426 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 2026-02-10T11:42:30,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20 2026-02-10T11:42:30,429 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 2026-02-10T11:42:30,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23 2026-02-10T11:42:30,432 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 2026-02-10T11:42:30,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si 2026-02-10T11:42:30,436 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 2026-02-10T11:42:30,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25 2026-02-10T11:42:30,440 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 2026-02-10T11:42:30,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n 2026-02-10T11:42:30,443 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 2026-02-10T11:42:30,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9 2026-02-10T11:42:30,447 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 2026-02-10T11:42:30,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s 2026-02-10T11:42:30,450 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 2026-02-10T11:42:30,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12 2026-02-10T11:42:30,454 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 2026-02-10T11:42:30,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n 2026-02-10T11:42:30,457 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 2026-02-10T11:42:30,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c 2026-02-10T11:42:30,461 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 2026-02-10T11:42:30,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n 2026-02-10T11:42:30,464 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 2026-02-10T11:42:30,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n 2026-02-10T11:42:30,467 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 2026-02-10T11:42:30,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl 2026-02-10T11:42:30,471 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 2026-02-10T11:42:30,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19 2026-02-10T11:42:30,475 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 2026-02-10T11:42:30,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n 2026-02-10T11:42:30,478 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 2026-02-10T11:42:30,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10 2026-02-10T11:42:30,482 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 2026-02-10T11:42:30,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:42:30,485 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- 2026-02-10T11:42:30,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16 2026-02-10T11:42:30,490 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 2026-02-10T11:42:30,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p 2026-02-10T11:42:30,494 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 2026-02-10T11:42:30,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c- 2026-02-10T11:42:30,497 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- 2026-02-10T11:42:30,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f- 2026-02-10T11:42:30,501 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- 2026-02-10T11:42:30,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n 2026-02-10T11:42:30,505 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 2026-02-10T11:42:30,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n 2026-02-10T11:42:30,508 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 2026-02-10T11:42:30,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o- 2026-02-10T11:42:30,511 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- 2026-02-10T11:42:30,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n 2026-02-10T11:42:30,514 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 2026-02-10T11:42:30,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s- 2026-02-10T11:42:30,518 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- 2026-02-10T11:42:30,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22 2026-02-10T11:42:30,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b 2026-02-10T11:42:30,524 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 2026-02-10T11:42:30,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b 2026-02-10T11:42:30,527 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 2026-02-10T11:42:30,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a 2026-02-10T11:42:30,531 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 2026-02-10T11:42:30,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07 2026-02-10T11:42:30,535 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 2026-02-10T11:42:30,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b 2026-02-10T11:42:30,539 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 2026-02-10T11:42:30,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a 2026-02-10T11:42:30,543 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 2026-02-10T11:42:30,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b 2026-02-10T11:42:30,546 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 2026-02-10T11:42:30,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02 2026-02-10T11:42:30,549 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 2026-02-10T11:42:30,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12 2026-02-10T11:42:30,553 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 2026-02-10T11:42:30,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b 2026-02-10T11:42:30,558 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 2026-02-10T11:42:30,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a 2026-02-10T11:42:30,562 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 2026-02-10T11:42:30,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a 2026-02-10T11:42:30,566 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 2026-02-10T11:42:30,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b 2026-02-10T11:42:30,569 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 2026-02-10T11:42:30,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b 2026-02-10T11:42:30,574 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 2026-02-10T11:42:30,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18 2026-02-10T11:42:30,577 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 2026-02-10T11:42:30,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13 2026-02-10T11:42:30,581 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 2026-02-10T11:42:30,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a 2026-02-10T11:42:30,584 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 2026-02-10T11:42:30,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a 2026-02-10T11:42:30,588 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 2026-02-10T11:42:30,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a 2026-02-10T11:42:30,591 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 2026-02-10T11:42:30,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b 2026-02-10T11:42:30,595 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 2026-02-10T11:42:30,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05 2026-02-10T11:42:30,599 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 2026-02-10T11:42:30,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20 2026-02-10T11:42:30,602 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 2026-02-10T11:42:30,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01 2026-02-10T11:42:30,606 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 2026-02-10T11:42:30,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a 2026-02-10T11:42:30,610 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 2026-02-10T11:42:30,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a 2026-02-10T11:42:30,613 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 2026-02-10T11:42:30,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b 2026-02-10T11:42:30,617 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 2026-02-10T11:42:30,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b 2026-02-10T11:42:30,620 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 2026-02-10T11:42:30,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a 2026-02-10T11:42:30,624 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 2026-02-10T11:42:30,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08 2026-02-10T11:42:30,628 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 2026-02-10T11:42:30,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b 2026-02-10T11:42:30,631 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 2026-02-10T11:42:30,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a 2026-02-10T11:42:30,635 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a 2026-02-10T11:42:30,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04 2026-02-10T11:42:30,638 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 2026-02-10T11:42:30,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16 2026-02-10T11:42:30,642 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 2026-02-10T11:42:30,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a 2026-02-10T11:42:30,646 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 2026-02-10T11:42:30,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b 2026-02-10T11:42:30,652 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 2026-02-10T11:42:30,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a 2026-02-10T11:42:30,657 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 2026-02-10T11:42:30,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a 2026-02-10T11:42:30,660 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 2026-02-10T11:42:30,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09 2026-02-10T11:42:30,663 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 2026-02-10T11:42:30,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22 2026-02-10T11:42:30,667 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 2026-02-10T11:42:30,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10 2026-02-10T11:42:30,670 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 2026-02-10T11:42:30,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06 2026-02-10T11:42:30,674 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 2026-02-10T11:42:30,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a 2026-02-10T11:42:30,677 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 2026-02-10T11:42:30,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a 2026-02-10T11:42:30,683 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 2026-02-10T11:42:30,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a 2026-02-10T11:42:30,686 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 2026-02-10T11:42:30,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a 2026-02-10T11:42:30,690 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 2026-02-10T11:42:30,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b 2026-02-10T11:42:30,693 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 2026-02-10T11:42:30,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11 2026-02-10T11:42:30,696 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 2026-02-10T11:42:30,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15 2026-02-10T11:42:30,700 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 2026-02-10T11:42:30,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03 2026-02-10T11:42:30,703 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 2026-02-10T11:42:30,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17 2026-02-10T11:42:30,707 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 2026-02-10T11:42:30,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a 2026-02-10T11:42:30,710 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 2026-02-10T11:42:30,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21 2026-02-10T11:42:30,714 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 2026-02-10T11:42:30,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a 2026-02-10T11:42:30,717 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 2026-02-10T11:42:30,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a 2026-02-10T11:42:30,721 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 2026-02-10T11:42:30,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a 2026-02-10T11:42:30,724 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 2026-02-10T11:42:30,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14 2026-02-10T11:42:30,728 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 2026-02-10T11:42:30,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19 2026-02-10T11:42:30,731 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 2026-02-10T11:42:30,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4 2026-02-10T11:42:30,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:42:30,737 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 2026-02-10T11:42:30,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:42:30,741 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 2026-02-10T11:42:30,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:42:30,744 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 2026-02-10T11:42:30,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he 2026-02-10T11:42:30,747 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 2026-02-10T11:42:30,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:42:30,751 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 2026-02-10T11:42:30,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3 2026-02-10T11:42:30,755 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 2026-02-10T11:42:30,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:42:30,758 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 2026-02-10T11:42:30,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:42:30,762 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 2026-02-10T11:42:30,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:42:30,766 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 2026-02-10T11:42:30,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:42:30,769 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 2026-02-10T11:42:30,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:42:30,773 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 2026-02-10T11:42:30,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:42:30,776 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+ 2026-02-10T11:42:30,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:42:30,780 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 2026-02-10T11:42:30,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h 2026-02-10T11:42:30,783 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 2026-02-10T11:42:30,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o 2026-02-10T11:42:30,786 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 2026-02-10T11:42:30,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:42:30,789 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+ 2026-02-10T11:42:30,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:42:30,793 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 2026-02-10T11:42:30,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:42:30,796 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 2026-02-10T11:42:30,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:42:30,800 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 2026-02-10T11:42:30,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:42:30,803 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 2026-02-10T11:42:30,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:42:30,807 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 2026-02-10T11:42:30,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+ 2026-02-10T11:42:30,810 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+ 2026-02-10T11:42:30,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:42:30,813 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 2026-02-10T11:42:30,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC 2026-02-10T11:42:30,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9 2026-02-10T11:42:30,819 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 2026-02-10T11:42:30,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3 2026-02-10T11:42:30,822 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3 2026-02-10T11:42:30,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4 2026-02-10T11:42:30,826 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 2026-02-10T11:42:30,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6 2026-02-10T11:42:30,829 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 2026-02-10T11:42:30,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X 2026-02-10T11:42:30,832 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 2026-02-10T11:42:30,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10 2026-02-10T11:42:30,836 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 2026-02-10T11:42:30,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein 2026-02-10T11:42:30,839 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 2026-02-10T11:42:30,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X 2026-02-10T11:42:30,843 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 2026-02-10T11:42:30,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X 2026-02-10T11:42:30,846 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 2026-02-10T11:42:30,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7 2026-02-10T11:42:30,850 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 2026-02-10T11:42:30,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene 2026-02-10T11:42:30,853 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 2026-02-10T11:42:30,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1 2026-02-10T11:42:30,856 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 2026-02-10T11:42:30,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2 2026-02-10T11:42:30,860 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 2026-02-10T11:42:30,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X 2026-02-10T11:42:30,863 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 2026-02-10T11:42:30,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH 2026-02-10T11:42:30,867 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 2026-02-10T11:42:30,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5 2026-02-10T11:42:30,870 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 2026-02-10T11:42:30,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene 2026-02-10T11:42:30,874 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 2026-02-10T11:42:30,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine 2026-02-10T11:42:30,877 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 2026-02-10T11:42:30,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8 2026-02-10T11:42:30,881 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 2026-02-10T11:42:30,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane 2026-02-10T11:42:30,884 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 2026-02-10T11:42:30,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene 2026-02-10T11:42:30,888 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 2026-02-10T11:42:30,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene 2026-02-10T11:42:30,891 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 2026-02-10T11:42:30,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24 2026-02-10T11:42:30,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e 2026-02-10T11:42:30,897 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 2026-02-10T11:42:30,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e 2026-02-10T11:42:30,901 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 2026-02-10T11:42:30,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e 2026-02-10T11:42:30,904 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 2026-02-10T11:42:30,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p 2026-02-10T11:42:30,908 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 2026-02-10T11:42:30,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e 2026-02-10T11:42:30,911 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 2026-02-10T11:42:30,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p 2026-02-10T11:42:30,915 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 2026-02-10T11:42:30,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e 2026-02-10T11:42:30,918 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 2026-02-10T11:42:30,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e 2026-02-10T11:42:30,921 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 2026-02-10T11:42:30,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p 2026-02-10T11:42:30,925 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 2026-02-10T11:42:30,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e 2026-02-10T11:42:30,928 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 2026-02-10T11:42:30,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e 2026-02-10T11:42:30,932 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 2026-02-10T11:42:30,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e 2026-02-10T11:42:30,936 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 2026-02-10T11:42:30,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p 2026-02-10T11:42:30,939 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 2026-02-10T11:42:30,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p 2026-02-10T11:42:30,943 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 2026-02-10T11:42:30,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p 2026-02-10T11:42:30,946 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 2026-02-10T11:42:30,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p 2026-02-10T11:42:30,949 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 2026-02-10T11:42:30,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p 2026-02-10T11:42:30,953 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 2026-02-10T11:42:30,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p 2026-02-10T11:42:30,956 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 2026-02-10T11:42:30,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p 2026-02-10T11:42:30,960 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 2026-02-10T11:42:30,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p 2026-02-10T11:42:30,963 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 2026-02-10T11:42:30,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e 2026-02-10T11:42:30,967 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 2026-02-10T11:42:30,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e 2026-02-10T11:42:30,970 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 2026-02-10T11:42:30,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e 2026-02-10T11:42:30,973 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 2026-02-10T11:42:30,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e 2026-02-10T11:42:30,977 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 2026-02-10T11:42:30,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p 2026-02-10T11:42:30,981 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 2026-02-10T11:42:30,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e 2026-02-10T11:42:30,984 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 2026-02-10T11:42:30,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p 2026-02-10T11:42:30,988 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 2026-02-10T11:42:30,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p 2026-02-10T11:42:30,992 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 2026-02-10T11:42:30,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e 2026-02-10T11:42:30,996 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 2026-02-10T11:42:30,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p 2026-02-10T11:42:31,000 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 2026-02-10T11:42:31,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e 2026-02-10T11:42:31,003 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 2026-02-10T11:42:31,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e 2026-02-10T11:42:31,007 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 2026-02-10T11:42:31,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e 2026-02-10T11:42:31,011 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 2026-02-10T11:42:31,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p 2026-02-10T11:42:31,014 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 2026-02-10T11:42:31,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e 2026-02-10T11:42:31,018 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 2026-02-10T11:42:31,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p 2026-02-10T11:42:31,022 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 2026-02-10T11:42:31,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p 2026-02-10T11:42:31,026 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 2026-02-10T11:42:31,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p 2026-02-10T11:42:31,031 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 2026-02-10T11:42:31,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p 2026-02-10T11:42:31,034 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 2026-02-10T11:42:31,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e 2026-02-10T11:42:31,039 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 2026-02-10T11:42:31,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p 2026-02-10T11:42:31,042 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 2026-02-10T11:42:31,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p 2026-02-10T11:42:31,046 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 2026-02-10T11:42:31,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e 2026-02-10T11:42:31,050 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 2026-02-10T11:42:31,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e 2026-02-10T11:42:31,053 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 2026-02-10T11:42:31,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p 2026-02-10T11:42:31,057 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 2026-02-10T11:42:31,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e 2026-02-10T11:42:31,060 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 2026-02-10T11:42:31,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e 2026-02-10T11:42:31,064 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 2026-02-10T11:42:31,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p 2026-02-10T11:42:31,067 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 2026-02-10T11:42:31,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26 2026-02-10T11:42:31,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh 2026-02-10T11:42:31,073 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 2026-02-10T11:42:31,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4 2026-02-10T11:42:31,077 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 2026-02-10T11:42:31,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A 2026-02-10T11:42:31,080 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 2026-02-10T11:42:31,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p 2026-02-10T11:42:31,084 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 2026-02-10T11:42:31,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p 2026-02-10T11:42:31,087 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 2026-02-10T11:42:31,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s 2026-02-10T11:42:31,091 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 2026-02-10T11:42:31,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3 2026-02-10T11:42:31,094 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 2026-02-10T11:42:31,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp 2026-02-10T11:42:31,097 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 2026-02-10T11:42:31,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G 2026-02-10T11:42:31,101 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 2026-02-10T11:42:31,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol 2026-02-10T11:42:31,104 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 2026-02-10T11:42:31,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp 2026-02-10T11:42:31,107 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 2026-02-10T11:42:31,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6 2026-02-10T11:42:31,111 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 2026-02-10T11:42:31,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2 2026-02-10T11:42:31,115 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 2026-02-10T11:42:31,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp 2026-02-10T11:42:31,118 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 2026-02-10T11:42:31,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4 2026-02-10T11:42:31,122 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 2026-02-10T11:42:31,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp 2026-02-10T11:42:31,125 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 2026-02-10T11:42:31,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p 2026-02-10T11:42:31,129 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 2026-02-10T11:42:31,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp 2026-02-10T11:42:31,133 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 2026-02-10T11:42:31,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly 2026-02-10T11:42:31,136 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 2026-02-10T11:42:31,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp 2026-02-10T11:42:31,140 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 2026-02-10T11:42:31,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp 2026-02-10T11:42:31,143 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 2026-02-10T11:42:31,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol 2026-02-10T11:42:31,146 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 2026-02-10T11:42:31,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p 2026-02-10T11:42:31,150 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 2026-02-10T11:42:31,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p 2026-02-10T11:42:31,153 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 2026-02-10T11:42:31,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap 2026-02-10T11:42:31,157 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 2026-02-10T11:42:31,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp 2026-02-10T11:42:31,160 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 2026-02-10T11:42:31,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp 2026-02-10T11:42:31,163 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 2026-02-10T11:42:31,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3 2026-02-10T11:42:31,167 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 2026-02-10T11:42:31,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o 2026-02-10T11:42:31,171 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 2026-02-10T11:42:31,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6 2026-02-10T11:42:31,174 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 2026-02-10T11:42:31,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:42:31,178 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 2026-02-10T11:42:31,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p 2026-02-10T11:42:31,181 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 2026-02-10T11:42:31,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p 2026-02-10T11:42:31,185 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 2026-02-10T11:42:31,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p 2026-02-10T11:42:31,188 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 2026-02-10T11:42:31,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8 2026-02-10T11:42:31,191 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 2026-02-10T11:42:31,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys 2026-02-10T11:42:31,195 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 2026-02-10T11:42:31,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s 2026-02-10T11:42:31,199 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 2026-02-10T11:42:31,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p 2026-02-10T11:42:31,202 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 2026-02-10T11:42:31,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C 2026-02-10T11:42:31,207 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 2026-02-10T11:42:31,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:42:31,212 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 2026-02-10T11:42:31,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass 2026-02-10T11:42:31,215 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 2026-02-10T11:42:31,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2 2026-02-10T11:42:31,219 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 2026-02-10T11:42:31,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T 2026-02-10T11:42:31,222 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 2026-02-10T11:42:31,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp 2026-02-10T11:42:31,226 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 2026-02-10T11:42:31,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op 2026-02-10T11:42:31,230 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 2026-02-10T11:42:31,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp 2026-02-10T11:42:31,234 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 2026-02-10T11:42:31,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6 2026-02-10T11:42:31,238 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 2026-02-10T11:42:31,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p 2026-02-10T11:42:31,241 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 2026-02-10T11:42:31,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p 2026-02-10T11:42:31,245 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 2026-02-10T11:42:31,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl 2026-02-10T11:42:31,248 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 2026-02-10T11:42:31,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp 2026-02-10T11:42:31,251 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 2026-02-10T11:42:31,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2 2026-02-10T11:42:31,255 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 2026-02-10T11:42:31,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13 2026-02-10T11:42:31,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2 2026-02-10T11:42:31,261 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 2026-02-10T11:42:31,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2 2026-02-10T11:42:31,266 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 2026-02-10T11:42:31,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4 2026-02-10T11:42:31,269 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 2026-02-10T11:42:31,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2 2026-02-10T11:42:31,273 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 2026-02-10T11:42:31,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2 2026-02-10T11:42:31,277 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 2026-02-10T11:42:31,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6 2026-02-10T11:42:31,281 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 2026-02-10T11:42:31,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1 2026-02-10T11:42:31,284 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 2026-02-10T11:42:31,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene 2026-02-10T11:42:31,288 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 2026-02-10T11:42:31,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:42:31,291 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 2026-02-10T11:42:31,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen 2026-02-10T11:42:31,295 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 2026-02-10T11:42:31,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:42:31,298 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 2026-02-10T11:42:31,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:42:31,302 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 2026-02-10T11:42:31,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be 2026-02-10T11:42:31,305 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 2026-02-10T11:42:31,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35 2026-02-10T11:42:31,309 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 2026-02-10T11:42:31,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8 2026-02-10T11:42:31,313 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 2026-02-10T11:42:31,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb 2026-02-10T11:42:31,316 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 2026-02-10T11:42:31,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip 2026-02-10T11:42:31,320 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 2026-02-10T11:42:31,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage 2026-02-10T11:42:31,324 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 2026-02-10T11:42:31,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2 2026-02-10T11:42:31,327 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 2026-02-10T11:42:31,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3 2026-02-10T11:42:31,331 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 2026-02-10T11:42:31,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:42:31,334 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 2026-02-10T11:42:31,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl 2026-02-10T11:42:31,338 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 2026-02-10T11:42:31,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne 2026-02-10T11:42:31,341 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 2026-02-10T11:42:31,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35 2026-02-10T11:42:31,345 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 2026-02-10T11:42:31,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6 2026-02-10T11:42:31,348 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 2026-02-10T11:42:31,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36 2026-02-10T11:42:31,352 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 2026-02-10T11:42:31,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4 2026-02-10T11:42:31,356 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 2026-02-10T11:42:31,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36 2026-02-10T11:42:31,359 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 2026-02-10T11:42:31,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen 2026-02-10T11:42:31,362 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 2026-02-10T11:42:31,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL 2026-02-10T11:42:31,366 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 2026-02-10T11:42:31,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21 2026-02-10T11:42:31,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:42:31,370 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 2026-02-10T11:42:31,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:42:31,374 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 2026-02-10T11:42:31,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99 2026-02-10T11:42:31,378 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 2026-02-10T11:42:31,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215 2026-02-10T11:42:31,381 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 2026-02-10T11:42:31,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:42:31,385 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 2026-02-10T11:42:31,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357 2026-02-10T11:42:31,388 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 2026-02-10T11:42:31,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470 2026-02-10T11:42:31,392 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 2026-02-10T11:42:31,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:42:31,395 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 2026-02-10T11:42:31,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b 2026-02-10T11:42:31,399 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 2026-02-10T11:42:31,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224 2026-02-10T11:42:31,403 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 2026-02-10T11:42:31,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:42:31,406 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 2026-02-10T11:42:31,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114 2026-02-10T11:42:31,410 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 2026-02-10T11:42:31,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691 2026-02-10T11:42:31,414 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 2026-02-10T11:42:31,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300 2026-02-10T11:42:31,418 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 2026-02-10T11:42:31,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:42:31,422 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 2026-02-10T11:42:31,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366 2026-02-10T11:42:31,427 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 2026-02-10T11:42:31,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:42:31,431 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 2026-02-10T11:42:31,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:42:31,435 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 2026-02-10T11:42:31,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444 2026-02-10T11:42:31,440 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 2026-02-10T11:42:31,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412 2026-02-10T11:42:31,444 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 2026-02-10T11:42:31,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:42:31,447 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 2026-02-10T11:42:31,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59 2026-02-10T11:42:31,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:42:31,454 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 2026-02-10T11:42:31,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:42:31,457 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 2026-02-10T11:42:31,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:42:31,461 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 2026-02-10T11:42:31,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:42:31,464 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 2026-02-10T11:42:31,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:42:31,467 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 2026-02-10T11:42:31,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:42:31,471 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 2026-02-10T11:42:31,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:42:31,474 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 2026-02-10T11:42:31,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:42:31,478 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 2026-02-10T11:42:31,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI 2026-02-10T11:42:31,481 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 2026-02-10T11:42:31,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:42:31,484 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 2026-02-10T11:42:31,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:42:31,488 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 2026-02-10T11:42:31,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe 2026-02-10T11:42:31,491 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 2026-02-10T11:42:31,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:42:31,494 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 2026-02-10T11:42:31,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr 2026-02-10T11:42:31,498 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 2026-02-10T11:42:31,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:42:31,501 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 2026-02-10T11:42:31,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI 2026-02-10T11:42:31,505 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 2026-02-10T11:42:31,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:42:31,508 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 2026-02-10T11:42:31,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:42:31,512 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 2026-02-10T11:42:31,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:42:31,516 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 2026-02-10T11:42:31,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:42:31,519 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 2026-02-10T11:42:31,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:42:31,522 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 2026-02-10T11:42:31,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:42:31,526 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 2026-02-10T11:42:31,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:42:31,530 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 2026-02-10T11:42:31,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:42:31,533 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 2026-02-10T11:42:31,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:42:31,537 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 2026-02-10T11:42:31,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:42:31,540 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 2026-02-10T11:42:31,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:42:31,543 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 2026-02-10T11:42:31,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:42:31,547 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 2026-02-10T11:42:31,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:42:31,550 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 2026-02-10T11:42:31,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI 2026-02-10T11:42:31,553 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 2026-02-10T11:42:31,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:42:31,557 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 2026-02-10T11:42:31,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH 2026-02-10T11:42:31,560 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 2026-02-10T11:42:31,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:42:31,563 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 2026-02-10T11:42:31,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:42:31,567 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 2026-02-10T11:42:31,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:42:31,570 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 2026-02-10T11:42:31,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:42:31,574 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 2026-02-10T11:42:31,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:42:31,578 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 2026-02-10T11:42:31,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:42:31,581 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 2026-02-10T11:42:31,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2 2026-02-10T11:42:31,584 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 2026-02-10T11:42:31,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:42:31,587 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 2026-02-10T11:42:31,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:42:31,591 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 2026-02-10T11:42:31,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:42:31,594 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 2026-02-10T11:42:31,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3 2026-02-10T11:42:31,597 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 2026-02-10T11:42:31,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:42:31,601 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 2026-02-10T11:42:31,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:42:31,604 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 2026-02-10T11:42:31,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:42:31,607 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 2026-02-10T11:42:31,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:42:31,611 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 2026-02-10T11:42:31,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH 2026-02-10T11:42:31,614 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 2026-02-10T11:42:31,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:42:31,618 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 2026-02-10T11:42:31,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:42:31,622 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 2026-02-10T11:42:31,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:42:31,625 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 2026-02-10T11:42:31,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:42:31,628 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 2026-02-10T11:42:31,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:42:31,632 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 2026-02-10T11:42:31,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:42:31,635 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 2026-02-10T11:42:31,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:42:31,639 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 2026-02-10T11:42:31,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:42:31,642 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 2026-02-10T11:42:31,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:42:31,646 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 2026-02-10T11:42:31,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:42:31,649 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 2026-02-10T11:42:31,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:42:31,653 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 2026-02-10T11:42:31,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:42:31,656 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 2026-02-10T11:42:31,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:42:31,659 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 2026-02-10T11:42:31,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:42:31,663 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 2026-02-10T11:42:31,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:42:31,666 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 2026-02-10T11:42:31,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH 2026-02-10T11:42:31,669 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 2026-02-10T11:42:31,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl 2026-02-10T11:42:31,673 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 2026-02-10T11:42:31,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:42:31,676 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 2026-02-10T11:42:31,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:42:31,679 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 2026-02-10T11:42:31,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:42:31,683 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 2026-02-10T11:42:31,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS 2026-02-10T11:42:31,686 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 2026-02-10T11:42:31,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:42:31,690 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 2026-02-10T11:42:31,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:42:31,693 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 2026-02-10T11:42:31,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:42:31,697 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 2026-02-10T11:42:31,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:42:31,700 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 2026-02-10T11:42:31,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:42:31,703 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 2026-02-10T11:42:31,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:42:31,707 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 2026-02-10T11:42:31,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:42:31,711 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 2026-02-10T11:42:31,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:42:31,715 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 2026-02-10T11:42:31,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:42:31,718 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 2026-02-10T11:42:31,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:42:31,721 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 2026-02-10T11:42:31,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:42:31,725 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 2026-02-10T11:42:31,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:42:31,729 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 2026-02-10T11:42:31,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:42:31,732 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 2026-02-10T11:42:31,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr 2026-02-10T11:42:31,737 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 2026-02-10T11:42:31,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:42:31,742 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 2026-02-10T11:42:31,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:42:31,745 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 2026-02-10T11:42:31,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:42:31,749 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 2026-02-10T11:42:31,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:42:31,752 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 2026-02-10T11:42:31,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:42:31,756 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 2026-02-10T11:42:31,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:42:31,760 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 2026-02-10T11:42:31,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:42:31,763 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 2026-02-10T11:42:31,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:42:31,767 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 2026-02-10T11:42:31,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI 2026-02-10T11:42:31,770 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 2026-02-10T11:42:31,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:42:31,774 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 2026-02-10T11:42:31,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:42:31,778 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 2026-02-10T11:42:31,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr 2026-02-10T11:42:31,781 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 2026-02-10T11:42:31,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:42:31,785 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 2026-02-10T11:42:31,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:42:31,788 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 2026-02-10T11:42:31,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr 2026-02-10T11:42:31,792 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 2026-02-10T11:42:31,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:42:31,795 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 2026-02-10T11:42:31,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:42:31,798 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 2026-02-10T11:42:31,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3 2026-02-10T11:42:31,802 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 2026-02-10T11:42:31,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:42:31,806 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 2026-02-10T11:42:31,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS 2026-02-10T11:42:31,810 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 2026-02-10T11:42:31,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:42:31,813 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 2026-02-10T11:42:31,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:42:31,817 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 2026-02-10T11:42:31,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP 2026-02-10T11:42:31,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64 2026-02-10T11:42:31,824 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 2026-02-10T11:42:31,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+ 2026-02-10T11:42:31,828 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+ 2026-02-10T11:42:31,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74 2026-02-10T11:42:31,831 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 2026-02-10T11:42:31,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12 2026-02-10T11:42:31,835 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 2026-02-10T11:42:31,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+ 2026-02-10T11:42:31,839 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+ 2026-02-10T11:42:31,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18 2026-02-10T11:42:31,843 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 2026-02-10T11:42:31,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59 2026-02-10T11:42:31,848 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 2026-02-10T11:42:31,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+ 2026-02-10T11:42:31,852 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+ 2026-02-10T11:42:31,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34 2026-02-10T11:42:31,856 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 2026-02-10T11:42:31,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13 2026-02-10T11:42:31,859 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 2026-02-10T11:42:31,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77 2026-02-10T11:42:31,862 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 2026-02-10T11:42:31,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b 2026-02-10T11:42:31,866 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 2026-02-10T11:42:31,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76 2026-02-10T11:42:31,869 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 2026-02-10T11:42:31,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+ 2026-02-10T11:42:31,872 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+ 2026-02-10T11:42:31,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48 2026-02-10T11:42:31,876 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 2026-02-10T11:42:31,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137 2026-02-10T11:42:31,879 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 2026-02-10T11:42:31,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45 2026-02-10T11:42:31,882 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 2026-02-10T11:42:31,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+ 2026-02-10T11:42:31,885 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+ 2026-02-10T11:42:31,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+ 2026-02-10T11:42:31,889 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+ 2026-02-10T11:42:31,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+ 2026-02-10T11:42:31,892 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+ 2026-02-10T11:42:31,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o 2026-02-10T11:42:31,895 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 2026-02-10T11:42:31,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be 2026-02-10T11:42:31,899 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 2026-02-10T11:42:31,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73 2026-02-10T11:42:31,902 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 2026-02-10T11:42:31,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20 2026-02-10T11:42:31,905 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 2026-02-10T11:42:31,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+ 2026-02-10T11:42:31,909 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+ 2026-02-10T11:42:31,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+ 2026-02-10T11:42:31,912 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+ 2026-02-10T11:42:31,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na 2026-02-10T11:42:31,916 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 2026-02-10T11:42:31,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+ 2026-02-10T11:42:31,919 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+ 2026-02-10T11:42:31,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80 2026-02-10T11:42:31,922 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 2026-02-10T11:42:31,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75 2026-02-10T11:42:31,926 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 2026-02-10T11:42:31,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70 2026-02-10T11:42:31,929 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 2026-02-10T11:42:31,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66 2026-02-10T11:42:31,933 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 2026-02-10T11:42:31,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si 2026-02-10T11:42:31,936 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 2026-02-10T11:42:31,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n 2026-02-10T11:42:31,942 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 2026-02-10T11:42:31,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h 2026-02-10T11:42:31,946 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 2026-02-10T11:42:31,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65 2026-02-10T11:42:31,949 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 2026-02-10T11:42:31,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li 2026-02-10T11:42:31,952 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 2026-02-10T11:42:31,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44 2026-02-10T11:42:31,957 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 2026-02-10T11:42:31,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25 2026-02-10T11:42:31,960 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 2026-02-10T11:42:31,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30 2026-02-10T11:42:31,964 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 2026-02-10T11:42:31,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s 2026-02-10T11:42:31,968 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 2026-02-10T11:42:31,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68 2026-02-10T11:42:31,972 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 2026-02-10T11:42:31,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg 2026-02-10T11:42:31,975 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 2026-02-10T11:42:31,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67 2026-02-10T11:42:31,979 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 2026-02-10T11:42:31,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78 2026-02-10T11:42:31,982 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 2026-02-10T11:42:31,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43 2026-02-10T11:42:31,986 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 2026-02-10T11:42:31,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37 2026-02-10T11:42:31,993 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 2026-02-10T11:42:31,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22 2026-02-10T11:42:31,997 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 2026-02-10T11:42:32,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p 2026-02-10T11:42:32,003 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 2026-02-10T11:42:32,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26 2026-02-10T11:42:32,008 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 2026-02-10T11:42:32,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+ 2026-02-10T11:42:32,012 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+ 2026-02-10T11:42:32,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72 2026-02-10T11:42:32,017 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 2026-02-10T11:42:32,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f 2026-02-10T11:42:32,022 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 2026-02-10T11:42:32,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+ 2026-02-10T11:42:32,027 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+ 2026-02-10T11:42:32,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60 2026-02-10T11:42:32,030 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 2026-02-10T11:42:32,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl 2026-02-10T11:42:32,034 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 2026-02-10T11:42:32,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65 2026-02-10T11:42:32,037 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 2026-02-10T11:42:32,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51 2026-02-10T11:42:32,041 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 2026-02-10T11:42:32,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71 2026-02-10T11:42:32,045 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 2026-02-10T11:42:32,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11 2026-02-10T11:42:32,049 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 2026-02-10T11:42:32,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61 2026-02-10T11:42:32,053 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 2026-02-10T11:42:32,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+ 2026-02-10T11:42:32,057 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+ 2026-02-10T11:42:32,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c 2026-02-10T11:42:32,062 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 2026-02-10T11:42:32,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+ 2026-02-10T11:42:32,066 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+ 2026-02-10T11:42:32,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14 2026-02-10T11:42:32,070 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 2026-02-10T11:42:32,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al 2026-02-10T11:42:32,075 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 2026-02-10T11:42:32,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19 2026-02-10T11:42:32,080 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 2026-02-10T11:42:32,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62 2026-02-10T11:42:32,085 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 2026-02-10T11:42:32,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8 2026-02-10T11:42:32,088 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 2026-02-10T11:42:32,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79 2026-02-10T11:42:32,092 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 2026-02-10T11:42:32,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63 2026-02-10T11:42:32,096 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 2026-02-10T11:42:32,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34 2026-02-10T11:42:32,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25 2026-02-10T11:42:32,104 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 2026-02-10T11:42:32,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24 2026-02-10T11:42:32,109 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 2026-02-10T11:42:32,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23 2026-02-10T11:42:32,113 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 2026-02-10T11:42:32,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19 2026-02-10T11:42:32,117 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 2026-02-10T11:42:32,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21 2026-02-10T11:42:32,120 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 2026-02-10T11:42:32,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26 2026-02-10T11:42:32,123 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 2026-02-10T11:42:32,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9 2026-02-10T11:42:32,127 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 2026-02-10T11:42:32,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3 2026-02-10T11:42:32,131 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 2026-02-10T11:42:32,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4 2026-02-10T11:42:32,135 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 2026-02-10T11:42:32,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20 2026-02-10T11:42:32,138 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 2026-02-10T11:42:32,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27 2026-02-10T11:42:32,141 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 2026-02-10T11:42:32,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6 2026-02-10T11:42:32,145 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 2026-02-10T11:42:32,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26 2026-02-10T11:42:32,149 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 2026-02-10T11:42:32,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30 2026-02-10T11:42:32,152 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 2026-02-10T11:42:32,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10 2026-02-10T11:42:32,156 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 2026-02-10T11:42:32,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20 2026-02-10T11:42:32,160 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 2026-02-10T11:42:32,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11 2026-02-10T11:42:32,164 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 2026-02-10T11:42:32,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7 2026-02-10T11:42:32,168 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 2026-02-10T11:42:32,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34 2026-02-10T11:42:32,171 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 2026-02-10T11:42:32,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7 2026-02-10T11:42:32,174 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 2026-02-10T11:42:32,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32 2026-02-10T11:42:32,177 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 2026-02-10T11:42:32,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30 2026-02-10T11:42:32,180 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 2026-02-10T11:42:32,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1 2026-02-10T11:42:32,184 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 2026-02-10T11:42:32,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12 2026-02-10T11:42:32,187 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 2026-02-10T11:42:32,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4 2026-02-10T11:42:32,191 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 2026-02-10T11:42:32,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15 2026-02-10T11:42:32,194 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 2026-02-10T11:42:32,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15 2026-02-10T11:42:32,198 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 2026-02-10T11:42:32,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2 2026-02-10T11:42:32,202 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 2026-02-10T11:42:32,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22 2026-02-10T11:42:32,205 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 2026-02-10T11:42:32,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23 2026-02-10T11:42:32,209 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 2026-02-10T11:42:32,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24 2026-02-10T11:42:32,212 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 2026-02-10T11:42:32,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16 2026-02-10T11:42:32,216 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 2026-02-10T11:42:32,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34 2026-02-10T11:42:32,219 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 2026-02-10T11:42:32,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10 2026-02-10T11:42:32,223 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 2026-02-10T11:42:32,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17 2026-02-10T11:42:32,227 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 2026-02-10T11:42:32,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17 2026-02-10T11:42:32,231 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 2026-02-10T11:42:32,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3 2026-02-10T11:42:32,235 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 2026-02-10T11:42:32,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21 2026-02-10T11:42:32,238 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 2026-02-10T11:42:32,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27 2026-02-10T11:42:32,242 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 2026-02-10T11:42:32,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13 2026-02-10T11:42:32,246 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 2026-02-10T11:42:32,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5 2026-02-10T11:42:32,249 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 2026-02-10T11:42:32,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31 2026-02-10T11:42:32,252 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 2026-02-10T11:42:32,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8 2026-02-10T11:42:32,256 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 2026-02-10T11:42:32,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29 2026-02-10T11:42:32,260 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 2026-02-10T11:42:32,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1 2026-02-10T11:42:32,263 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 2026-02-10T11:42:32,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14 2026-02-10T11:42:32,267 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 2026-02-10T11:42:32,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33 2026-02-10T11:42:32,270 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 2026-02-10T11:42:32,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31 2026-02-10T11:42:32,274 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 2026-02-10T11:42:32,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33 2026-02-10T11:42:32,277 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 2026-02-10T11:42:32,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16 2026-02-10T11:42:32,281 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 2026-02-10T11:42:32,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9 2026-02-10T11:42:32,285 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 2026-02-10T11:42:32,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11 2026-02-10T11:42:32,288 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 2026-02-10T11:42:32,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14 2026-02-10T11:42:32,292 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 2026-02-10T11:42:32,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12 2026-02-10T11:42:32,296 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 2026-02-10T11:42:32,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8 2026-02-10T11:42:32,300 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 2026-02-10T11:42:32,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29 2026-02-10T11:42:32,304 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 2026-02-10T11:42:32,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25 2026-02-10T11:42:32,307 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 2026-02-10T11:42:32,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13 2026-02-10T11:42:32,310 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 2026-02-10T11:42:32,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28 2026-02-10T11:42:32,314 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 2026-02-10T11:42:32,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18 2026-02-10T11:42:32,317 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 2026-02-10T11:42:32,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18 2026-02-10T11:42:32,320 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 2026-02-10T11:42:32,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32 2026-02-10T11:42:32,323 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 2026-02-10T11:42:32,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28 2026-02-10T11:42:32,327 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 2026-02-10T11:42:32,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6 2026-02-10T11:42:32,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2 2026-02-10T11:42:32,332 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 2026-02-10T11:42:32,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3 2026-02-10T11:42:32,335 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 2026-02-10T11:42:32,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4 2026-02-10T11:42:32,339 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 2026-02-10T11:42:32,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2 2026-02-10T11:42:32,342 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 2026-02-10T11:42:32,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6 2026-02-10T11:42:32,346 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 2026-02-10T11:42:32,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7 2026-02-10T11:42:32,350 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 2026-02-10T11:42:32,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5 2026-02-10T11:42:32,354 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 2026-02-10T11:42:32,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6 2026-02-10T11:42:32,357 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 2026-02-10T11:42:32,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5 2026-02-10T11:42:32,361 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 2026-02-10T11:42:32,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3 2026-02-10T11:42:32,365 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 2026-02-10T11:42:32,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4 2026-02-10T11:42:32,368 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 2026-02-10T11:42:32,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7 2026-02-10T11:42:32,372 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 2026-02-10T11:42:32,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4 2026-02-10T11:42:32,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:42:32,379 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 2026-02-10T11:42:32,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:42:32,382 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 2026-02-10T11:42:32,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:42:32,386 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 2026-02-10T11:42:32,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:42:32,390 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 2026-02-10T11:42:32,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:42:32,393 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 2026-02-10T11:42:32,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:42:32,398 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 2026-02-10T11:42:32,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:42:32,401 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 2026-02-10T11:42:32,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:42:32,405 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 2026-02-10T11:42:32,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:42:32,408 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 2026-02-10T11:42:32,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:42:32,412 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 2026-02-10T11:42:32,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:42:32,416 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 2026-02-10T11:42:32,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:42:32,420 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 2026-02-10T11:42:32,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:42:32,424 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 2026-02-10T11:42:32,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:42:32,428 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 2026-02-10T11:42:32,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:42:32,432 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 2026-02-10T11:42:32,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:42:32,437 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 2026-02-10T11:42:32,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:42:32,441 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 2026-02-10T11:42:32,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:42:32,445 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 2026-02-10T11:42:32,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:42:32,448 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 2026-02-10T11:42:32,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:42:32,453 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 2026-02-10T11:42:32,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:42:32,457 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 2026-02-10T11:42:32,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:42:32,462 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 2026-02-10T11:42:32,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:42:32,466 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 2026-02-10T11:42:32,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:42:32,470 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 2026-02-10T11:42:32,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:42:32,473 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 2026-02-10T11:42:32,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:42:32,478 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 2026-02-10T11:42:32,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:42:32,482 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 2026-02-10T11:42:32,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:42:32,487 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 2026-02-10T11:42:32,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:42:32,491 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 2026-02-10T11:42:32,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:42:32,495 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 2026-02-10T11:42:32,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:42:32,500 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 2026-02-10T11:42:32,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:42:32,504 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 2026-02-10T11:42:32,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:42:32,508 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 2026-02-10T11:42:32,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:42:32,513 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 2026-02-10T11:42:32,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:42:32,518 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 2026-02-10T11:42:32,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:42:32,522 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 2026-02-10T11:42:32,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:42:32,526 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 2026-02-10T11:42:32,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:42:32,530 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 2026-02-10T11:42:32,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:42:32,534 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 2026-02-10T11:42:32,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:42:32,538 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 2026-02-10T11:42:32,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:42:32,541 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 2026-02-10T11:42:32,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:42:32,546 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 2026-02-10T11:42:32,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:42:32,549 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 2026-02-10T11:42:32,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:42:32,554 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 2026-02-10T11:42:32,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:42:32,558 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 2026-02-10T11:42:32,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:42:32,561 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 2026-02-10T11:42:32,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:42:32,565 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 2026-02-10T11:42:32,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:42:32,569 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 2026-02-10T11:42:32,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:42:32,573 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 2026-02-10T11:42:32,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:42:32,578 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 2026-02-10T11:42:32,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:42:32,582 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 2026-02-10T11:42:32,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:42:32,585 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 2026-02-10T11:42:32,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:42:32,589 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 2026-02-10T11:42:32,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:42:32,594 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 2026-02-10T11:42:32,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:42:32,599 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 2026-02-10T11:42:32,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:42:32,603 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 2026-02-10T11:42:32,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:42:32,607 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 2026-02-10T11:42:32,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:42:32,610 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 2026-02-10T11:42:32,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:42:32,614 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 2026-02-10T11:42:32,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:42:32,618 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 2026-02-10T11:42:32,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:42:32,621 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 2026-02-10T11:42:32,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:42:32,625 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 2026-02-10T11:42:32,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:42:32,629 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 2026-02-10T11:42:32,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:42:32,633 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 2026-02-10T11:42:32,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:42:32,636 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 2026-02-10T11:42:32,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:42:32,640 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 2026-02-10T11:42:32,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:42:32,644 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 2026-02-10T11:42:32,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:42:32,648 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 2026-02-10T11:42:32,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:42:32,652 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 2026-02-10T11:42:32,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:42:32,656 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 2026-02-10T11:42:32,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:42:32,659 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 2026-02-10T11:42:32,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:42:32,663 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 2026-02-10T11:42:32,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:42:32,669 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 2026-02-10T11:42:32,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:42:32,673 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 2026-02-10T11:42:32,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:42:32,677 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 2026-02-10T11:42:32,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:42:32,681 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 2026-02-10T11:42:32,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:42:32,685 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 2026-02-10T11:42:32,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:42:32,690 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 2026-02-10T11:42:32,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:42:32,693 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 2026-02-10T11:42:32,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:42:32,697 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 2026-02-10T11:42:32,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:42:32,701 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 2026-02-10T11:42:32,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:42:32,706 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 2026-02-10T11:42:32,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:42:32,710 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 2026-02-10T11:42:32,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:42:32,714 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 2026-02-10T11:42:32,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:42:32,718 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 2026-02-10T11:42:32,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:42:32,722 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 2026-02-10T11:42:32,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:42:32,725 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 2026-02-10T11:42:32,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:42:32,729 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 2026-02-10T11:42:32,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:42:32,733 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 2026-02-10T11:42:32,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:42:32,736 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 2026-02-10T11:42:32,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:42:32,740 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 2026-02-10T11:42:32,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:42:32,743 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 2026-02-10T11:42:32,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:42:32,747 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 2026-02-10T11:42:32,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:42:32,751 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 2026-02-10T11:42:32,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:42:32,755 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 2026-02-10T11:42:32,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:42:32,758 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 2026-02-10T11:42:32,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:42:32,762 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 2026-02-10T11:42:32,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:42:32,766 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 2026-02-10T11:42:32,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:42:32,769 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 2026-02-10T11:42:32,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:42:32,773 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 2026-02-10T11:42:32,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6 2026-02-10T11:42:32,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3 2026-02-10T11:42:32,778 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 2026-02-10T11:42:32,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4 2026-02-10T11:42:32,782 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 2026-02-10T11:42:32,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:42:32,785 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 2026-02-10T11:42:32,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6 2026-02-10T11:42:32,789 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 2026-02-10T11:42:32,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3 2026-02-10T11:42:32,793 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 2026-02-10T11:42:32,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6 2026-02-10T11:42:32,796 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 2026-02-10T11:42:32,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3 2026-02-10T11:42:32,800 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 2026-02-10T11:42:32,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5 2026-02-10T11:42:32,805 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 2026-02-10T11:42:32,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6 2026-02-10T11:42:32,809 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 2026-02-10T11:42:32,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2 2026-02-10T11:42:32,813 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 2026-02-10T11:42:32,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3 2026-02-10T11:42:32,817 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 2026-02-10T11:42:32,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:42:32,821 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 2026-02-10T11:42:32,823 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 2026-02-10T11:42:32,825 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 2026-02-10T11:42:32,826 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 2026-02-10T11:42:32,839 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 2026-02-10T11:42:32,841 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 2026-02-10T11:42:32,842 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 2026-02-10T11:42:32,844 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 2026-02-10T11:42:32,846 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 2026-02-10T11:42:32,848 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 2026-02-10T11:42:32,850 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 2026-02-10T11:42:32,851 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 2026-02-10T11:42:32,853 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 2026-02-10T11:42:32,855 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 2026-02-10T11:42:32,857 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 2026-02-10T11:42:32,858 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 2026-02-10T11:42:32,860 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 2026-02-10T11:42:32,862 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 2026-02-10T11:42:32,864 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 2026-02-10T11:42:32,865 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 2026-02-10T11:42:32,867 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 2026-02-10T11:42:32,869 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 2026-02-10T11:42:32,873 copying build/lib/xcbm/MGCDB84.py -> build/bdist.linux-armv7l/wheel/./xcbm 2026-02-10T11:42:32,877 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset 2026-02-10T11:42:32,879 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,880 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,882 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,884 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,886 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,888 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,890 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,892 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,893 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,895 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,897 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,899 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,901 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,904 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,906 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,908 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,910 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,912 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,915 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,917 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,919 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,921 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,922 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,924 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,927 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,928 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,931 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,933 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,935 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,937 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,939 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,941 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,944 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,946 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,948 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,950 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,952 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,954 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,956 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,958 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,959 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,961 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,965 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,967 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,969 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,971 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,972 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,974 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,976 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,979 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,981 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,983 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,985 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,987 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,989 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,991 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,994 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,996 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:32,998 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,001 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,003 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,006 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,008 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,012 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,014 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,016 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,018 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,020 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,022 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,024 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,026 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,028 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,030 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,032 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,035 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,038 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,040 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,042 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,044 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:33,048 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries 2026-02-10T11:42:33,050 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,059 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,073 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:33,112 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:33,196 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,199 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 2026-02-10T11:42:33,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,207 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 2026-02-10T11:42:33,209 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 2026-02-10T11:42:33,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,213 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,223 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 2026-02-10T11:42:33,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,232 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 2026-02-10T11:42:33,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,238 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,244 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 2026-02-10T11:42:33,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,255 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 2026-02-10T11:42:33,257 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 2026-02-10T11:42:33,258 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 2026-02-10T11:42:33,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:33,267 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,271 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,284 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:33,355 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,393 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:33,397 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,404 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,413 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:33,429 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,439 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 2026-02-10T11:42:33,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,445 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 2026-02-10T11:42:33,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,455 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 2026-02-10T11:42:33,458 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 2026-02-10T11:42:33,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,470 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 2026-02-10T11:42:33,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,492 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 2026-02-10T11:42:33,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:33,517 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:42:33,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:42:33,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:42:33,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:42:33,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:42:33,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:42:33,529 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,567 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:33,573 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,579 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 2026-02-10T11:42:33,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,583 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 2026-02-10T11:42:33,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,588 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 2026-02-10T11:42:33,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,592 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 2026-02-10T11:42:33,593 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 2026-02-10T11:42:33,595 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 2026-02-10T11:42:33,597 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 2026-02-10T11:42:33,599 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 2026-02-10T11:42:33,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,604 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 2026-02-10T11:42:33,607 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 2026-02-10T11:42:33,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,611 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 2026-02-10T11:42:33,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,615 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 2026-02-10T11:42:33,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,624 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 2026-02-10T11:42:33,626 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 2026-02-10T11:42:33,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,636 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 2026-02-10T11:42:33,638 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 2026-02-10T11:42:33,640 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 2026-02-10T11:42:33,641 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 2026-02-10T11:42:33,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,648 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 2026-02-10T11:42:33,650 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 2026-02-10T11:42:33,652 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 2026-02-10T11:42:33,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,656 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 2026-02-10T11:42:33,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,660 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 2026-02-10T11:42:33,662 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 2026-02-10T11:42:33,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,666 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 2026-02-10T11:42:33,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,678 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 2026-02-10T11:42:33,680 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 2026-02-10T11:42:33,682 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 2026-02-10T11:42:33,684 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 2026-02-10T11:42:33,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,689 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 2026-02-10T11:42:33,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,712 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 2026-02-10T11:42:33,714 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 2026-02-10T11:42:33,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,721 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 2026-02-10T11:42:33,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,728 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 2026-02-10T11:42:33,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,736 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 2026-02-10T11:42:33,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,747 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 2026-02-10T11:42:33,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:33,991 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:42:33,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:42:33,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:42:34,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:42:34,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:42:34,007 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,059 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:34,080 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:42:34,081 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 2026-02-10T11:42:34,084 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 2026-02-10T11:42:34,086 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 2026-02-10T11:42:34,089 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 2026-02-10T11:42:34,091 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 2026-02-10T11:42:34,094 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 2026-02-10T11:42:34,096 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 2026-02-10T11:42:34,099 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 2026-02-10T11:42:34,101 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 2026-02-10T11:42:34,104 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 2026-02-10T11:42:34,106 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 2026-02-10T11:42:34,108 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 2026-02-10T11:42:34,110 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 2026-02-10T11:42:34,111 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 2026-02-10T11:42:34,113 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 2026-02-10T11:42:34,115 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 2026-02-10T11:42:34,117 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 2026-02-10T11:42:34,118 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 2026-02-10T11:42:34,120 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 2026-02-10T11:42:34,122 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 2026-02-10T11:42:34,124 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 2026-02-10T11:42:34,125 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 2026-02-10T11:42:34,127 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 2026-02-10T11:42:34,129 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 2026-02-10T11:42:34,130 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 2026-02-10T11:42:34,132 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 2026-02-10T11:42:34,134 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 2026-02-10T11:42:34,136 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 2026-02-10T11:42:34,137 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 2026-02-10T11:42:34,139 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 2026-02-10T11:42:34,141 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 2026-02-10T11:42:34,143 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 2026-02-10T11:42:34,145 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 2026-02-10T11:42:34,146 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 2026-02-10T11:42:34,148 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 2026-02-10T11:42:34,150 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 2026-02-10T11:42:34,152 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 2026-02-10T11:42:34,153 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 2026-02-10T11:42:34,155 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 2026-02-10T11:42:34,157 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 2026-02-10T11:42:34,159 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 2026-02-10T11:42:34,161 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 2026-02-10T11:42:34,162 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 2026-02-10T11:42:34,164 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 2026-02-10T11:42:34,166 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 2026-02-10T11:42:34,168 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 2026-02-10T11:42:34,169 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 2026-02-10T11:42:34,171 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 2026-02-10T11:42:34,173 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 2026-02-10T11:42:34,175 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 2026-02-10T11:42:34,177 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 2026-02-10T11:42:34,178 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 2026-02-10T11:42:34,180 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 2026-02-10T11:42:34,182 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 2026-02-10T11:42:34,184 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 2026-02-10T11:42:34,186 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 2026-02-10T11:42:34,188 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 2026-02-10T11:42:34,189 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 2026-02-10T11:42:34,191 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 2026-02-10T11:42:34,193 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 2026-02-10T11:42:34,195 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 2026-02-10T11:42:34,196 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 2026-02-10T11:42:34,198 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 2026-02-10T11:42:34,200 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 2026-02-10T11:42:34,202 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 2026-02-10T11:42:34,203 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 2026-02-10T11:42:34,205 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 2026-02-10T11:42:34,206 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 2026-02-10T11:42:34,208 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 2026-02-10T11:42:34,210 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 2026-02-10T11:42:34,211 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 2026-02-10T11:42:34,213 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 2026-02-10T11:42:34,215 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 2026-02-10T11:42:34,217 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 2026-02-10T11:42:34,219 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 2026-02-10T11:42:34,220 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 2026-02-10T11:42:34,222 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 2026-02-10T11:42:34,224 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 2026-02-10T11:42:34,226 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 2026-02-10T11:42:34,228 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 2026-02-10T11:42:34,230 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 2026-02-10T11:42:34,232 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 2026-02-10T11:42:34,233 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 2026-02-10T11:42:34,235 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 2026-02-10T11:42:34,237 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 2026-02-10T11:42:34,238 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 2026-02-10T11:42:34,240 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 2026-02-10T11:42:34,242 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 2026-02-10T11:42:34,243 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 2026-02-10T11:42:34,245 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 2026-02-10T11:42:34,247 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 2026-02-10T11:42:34,249 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 2026-02-10T11:42:34,250 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 2026-02-10T11:42:34,252 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 2026-02-10T11:42:34,254 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 2026-02-10T11:42:34,256 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 2026-02-10T11:42:34,257 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 2026-02-10T11:42:34,259 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 2026-02-10T11:42:34,261 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 2026-02-10T11:42:34,263 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 2026-02-10T11:42:34,265 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 2026-02-10T11:42:34,267 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 2026-02-10T11:42:34,269 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 2026-02-10T11:42:34,270 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 2026-02-10T11:42:34,272 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 2026-02-10T11:42:34,273 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 2026-02-10T11:42:34,275 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 2026-02-10T11:42:34,277 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 2026-02-10T11:42:34,279 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 2026-02-10T11:42:34,280 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 2026-02-10T11:42:34,282 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 2026-02-10T11:42:34,284 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 2026-02-10T11:42:34,286 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 2026-02-10T11:42:34,288 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 2026-02-10T11:42:34,289 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 2026-02-10T11:42:34,291 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 2026-02-10T11:42:34,293 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 2026-02-10T11:42:34,295 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 2026-02-10T11:42:34,297 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 2026-02-10T11:42:34,298 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 2026-02-10T11:42:34,300 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 2026-02-10T11:42:34,302 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 2026-02-10T11:42:34,304 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 2026-02-10T11:42:34,305 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 2026-02-10T11:42:34,307 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 2026-02-10T11:42:34,309 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 2026-02-10T11:42:34,310 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 2026-02-10T11:42:34,312 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 2026-02-10T11:42:34,314 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 2026-02-10T11:42:34,316 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 2026-02-10T11:42:34,317 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 2026-02-10T11:42:34,319 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 2026-02-10T11:42:34,321 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 2026-02-10T11:42:34,323 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 2026-02-10T11:42:34,325 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 2026-02-10T11:42:34,326 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 2026-02-10T11:42:34,328 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 2026-02-10T11:42:34,330 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 2026-02-10T11:42:34,332 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 2026-02-10T11:42:34,333 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 2026-02-10T11:42:34,335 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 2026-02-10T11:42:34,337 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 2026-02-10T11:42:34,339 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 2026-02-10T11:42:34,340 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 2026-02-10T11:42:34,342 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 2026-02-10T11:42:34,344 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 2026-02-10T11:42:34,346 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 2026-02-10T11:42:34,347 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 2026-02-10T11:42:34,349 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 2026-02-10T11:42:34,351 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 2026-02-10T11:42:34,352 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 2026-02-10T11:42:34,354 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 2026-02-10T11:42:34,356 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 2026-02-10T11:42:34,358 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 2026-02-10T11:42:34,360 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 2026-02-10T11:42:34,361 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 2026-02-10T11:42:34,363 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 2026-02-10T11:42:34,365 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 2026-02-10T11:42:34,367 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 2026-02-10T11:42:34,368 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 2026-02-10T11:42:34,370 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 2026-02-10T11:42:34,372 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 2026-02-10T11:42:34,374 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 2026-02-10T11:42:34,376 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 2026-02-10T11:42:34,377 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 2026-02-10T11:42:34,379 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 2026-02-10T11:42:34,381 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 2026-02-10T11:42:34,382 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 2026-02-10T11:42:34,384 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 2026-02-10T11:42:34,386 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 2026-02-10T11:42:34,388 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 2026-02-10T11:42:34,389 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 2026-02-10T11:42:34,391 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 2026-02-10T11:42:34,393 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 2026-02-10T11:42:34,395 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 2026-02-10T11:42:34,397 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 2026-02-10T11:42:34,398 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 2026-02-10T11:42:34,400 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 2026-02-10T11:42:34,402 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 2026-02-10T11:42:34,404 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 2026-02-10T11:42:34,405 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 2026-02-10T11:42:34,407 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 2026-02-10T11:42:34,409 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 2026-02-10T11:42:34,411 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 2026-02-10T11:42:34,413 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 2026-02-10T11:42:34,415 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 2026-02-10T11:42:34,416 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 2026-02-10T11:42:34,418 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 2026-02-10T11:42:34,419 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 2026-02-10T11:42:34,421 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 2026-02-10T11:42:34,423 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 2026-02-10T11:42:34,425 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 2026-02-10T11:42:34,427 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 2026-02-10T11:42:34,428 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 2026-02-10T11:42:34,430 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 2026-02-10T11:42:34,432 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 2026-02-10T11:42:34,434 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 2026-02-10T11:42:34,436 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 2026-02-10T11:42:34,437 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 2026-02-10T11:42:34,439 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 2026-02-10T11:42:34,441 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 2026-02-10T11:42:34,443 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 2026-02-10T11:42:34,445 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 2026-02-10T11:42:34,447 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 2026-02-10T11:42:34,449 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 2026-02-10T11:42:34,450 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 2026-02-10T11:42:34,452 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 2026-02-10T11:42:34,454 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 2026-02-10T11:42:34,456 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 2026-02-10T11:42:34,458 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 2026-02-10T11:42:34,460 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 2026-02-10T11:42:34,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:42:34,463 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 2026-02-10T11:42:34,465 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 2026-02-10T11:42:34,467 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 2026-02-10T11:42:34,469 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 2026-02-10T11:42:34,471 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 2026-02-10T11:42:34,472 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 2026-02-10T11:42:34,474 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 2026-02-10T11:42:34,476 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 2026-02-10T11:42:34,478 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 2026-02-10T11:42:34,480 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 2026-02-10T11:42:34,481 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 2026-02-10T11:42:34,483 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 2026-02-10T11:42:34,485 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 2026-02-10T11:42:34,487 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 2026-02-10T11:42:34,489 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 2026-02-10T11:42:34,491 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 2026-02-10T11:42:34,492 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 2026-02-10T11:42:34,494 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 2026-02-10T11:42:34,496 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 2026-02-10T11:42:34,497 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 2026-02-10T11:42:34,499 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 2026-02-10T11:42:34,501 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 2026-02-10T11:42:34,503 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 2026-02-10T11:42:34,505 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 2026-02-10T11:42:34,506 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 2026-02-10T11:42:34,508 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 2026-02-10T11:42:34,510 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 2026-02-10T11:42:34,511 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 2026-02-10T11:42:34,513 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 2026-02-10T11:42:34,515 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 2026-02-10T11:42:34,517 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 2026-02-10T11:42:34,519 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 2026-02-10T11:42:34,521 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 2026-02-10T11:42:34,523 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 2026-02-10T11:42:34,525 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 2026-02-10T11:42:34,526 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 2026-02-10T11:42:34,528 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 2026-02-10T11:42:34,530 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 2026-02-10T11:42:34,531 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 2026-02-10T11:42:34,533 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 2026-02-10T11:42:34,535 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 2026-02-10T11:42:34,537 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 2026-02-10T11:42:34,539 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 2026-02-10T11:42:34,541 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 2026-02-10T11:42:34,542 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 2026-02-10T11:42:34,544 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 2026-02-10T11:42:34,546 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 2026-02-10T11:42:34,548 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 2026-02-10T11:42:34,549 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 2026-02-10T11:42:34,551 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 2026-02-10T11:42:34,553 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 2026-02-10T11:42:34,555 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 2026-02-10T11:42:34,556 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 2026-02-10T11:42:34,558 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 2026-02-10T11:42:34,560 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 2026-02-10T11:42:34,562 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 2026-02-10T11:42:34,564 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 2026-02-10T11:42:34,566 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 2026-02-10T11:42:34,567 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 2026-02-10T11:42:34,569 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 2026-02-10T11:42:34,571 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 2026-02-10T11:42:34,572 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 2026-02-10T11:42:34,574 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 2026-02-10T11:42:34,576 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 2026-02-10T11:42:34,586 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,587 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 2026-02-10T11:42:34,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,592 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,594 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,603 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 2026-02-10T11:42:34,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,607 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 2026-02-10T11:42:34,609 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 2026-02-10T11:42:34,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,613 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 2026-02-10T11:42:34,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,619 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 2026-02-10T11:42:34,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,623 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 2026-02-10T11:42:34,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,630 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 2026-02-10T11:42:34,632 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 2026-02-10T11:42:34,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,641 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 2026-02-10T11:42:34,642 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 2026-02-10T11:42:34,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,650 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 2026-02-10T11:42:34,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,653 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 2026-02-10T11:42:34,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,671 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 2026-02-10T11:42:34,673 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 2026-02-10T11:42:34,675 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 2026-02-10T11:42:34,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,680 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 2026-02-10T11:42:34,682 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 2026-02-10T11:42:34,684 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 2026-02-10T11:42:34,686 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 2026-02-10T11:42:34,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,690 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 2026-02-10T11:42:34,691 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 2026-02-10T11:42:34,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,704 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 2026-02-10T11:42:34,705 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 2026-02-10T11:42:34,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,709 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 2026-02-10T11:42:34,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,713 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 2026-02-10T11:42:34,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,720 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 2026-02-10T11:42:34,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,724 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,735 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 2026-02-10T11:42:34,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,738 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 2026-02-10T11:42:34,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,748 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 2026-02-10T11:42:34,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,752 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 2026-02-10T11:42:34,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,756 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 2026-02-10T11:42:34,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,761 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 2026-02-10T11:42:34,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,765 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 2026-02-10T11:42:34,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,770 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 2026-02-10T11:42:34,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,778 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 2026-02-10T11:42:34,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,784 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 2026-02-10T11:42:34,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,791 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 2026-02-10T11:42:34,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,805 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 2026-02-10T11:42:34,806 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 2026-02-10T11:42:34,808 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 2026-02-10T11:42:34,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,815 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 2026-02-10T11:42:34,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,822 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 2026-02-10T11:42:34,824 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 2026-02-10T11:42:34,827 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 2026-02-10T11:42:34,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,847 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 2026-02-10T11:42:34,849 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 2026-02-10T11:42:34,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,856 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 2026-02-10T11:42:34,858 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 2026-02-10T11:42:34,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,865 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 2026-02-10T11:42:34,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,873 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 2026-02-10T11:42:34,875 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 2026-02-10T11:42:34,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,880 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 2026-02-10T11:42:34,882 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 2026-02-10T11:42:34,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,890 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 2026-02-10T11:42:34,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,896 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 2026-02-10T11:42:34,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,903 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 2026-02-10T11:42:34,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,907 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 2026-02-10T11:42:34,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,912 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,914 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 2026-02-10T11:42:34,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,918 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 2026-02-10T11:42:34,920 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 2026-02-10T11:42:34,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,929 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 2026-02-10T11:42:34,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,932 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 2026-02-10T11:42:34,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,941 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 2026-02-10T11:42:34,943 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 2026-02-10T11:42:34,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,948 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 2026-02-10T11:42:34,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,956 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 2026-02-10T11:42:34,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,963 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 2026-02-10T11:42:34,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,970 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 2026-02-10T11:42:34,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,977 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,982 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 2026-02-10T11:42:34,984 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 2026-02-10T11:42:34,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,989 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:34,996 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 2026-02-10T11:42:34,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,016 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 2026-02-10T11:42:35,017 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 2026-02-10T11:42:35,019 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 2026-02-10T11:42:35,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,023 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 2026-02-10T11:42:35,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,026 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 2026-02-10T11:42:35,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,030 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 2026-02-10T11:42:35,032 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 2026-02-10T11:42:35,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,036 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 2026-02-10T11:42:35,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,041 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 2026-02-10T11:42:35,043 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 2026-02-10T11:42:35,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,051 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 2026-02-10T11:42:35,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,058 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 2026-02-10T11:42:35,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,069 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 2026-02-10T11:42:35,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,076 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 2026-02-10T11:42:35,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,080 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 2026-02-10T11:42:35,081 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 2026-02-10T11:42:35,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,085 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 2026-02-10T11:42:35,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,092 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 2026-02-10T11:42:35,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,098 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 2026-02-10T11:42:35,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,126 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 2026-02-10T11:42:35,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,131 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 2026-02-10T11:42:35,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,135 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 2026-02-10T11:42:35,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,138 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 2026-02-10T11:42:35,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,147 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 2026-02-10T11:42:35,149 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 2026-02-10T11:42:35,151 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 2026-02-10T11:42:35,153 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 2026-02-10T11:42:35,155 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 2026-02-10T11:42:35,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,163 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 2026-02-10T11:42:35,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,166 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 2026-02-10T11:42:35,168 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 2026-02-10T11:42:35,170 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 2026-02-10T11:42:35,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,184 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 2026-02-10T11:42:35,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,191 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 2026-02-10T11:42:35,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,196 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 2026-02-10T11:42:35,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,204 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 2026-02-10T11:42:35,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,211 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 2026-02-10T11:42:35,213 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 2026-02-10T11:42:35,215 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 2026-02-10T11:42:35,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,231 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 2026-02-10T11:42:35,233 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 2026-02-10T11:42:35,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,238 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 2026-02-10T11:42:35,240 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 2026-02-10T11:42:35,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,258 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 2026-02-10T11:42:35,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,271 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,273 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 2026-02-10T11:42:35,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,281 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 2026-02-10T11:42:35,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,285 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 2026-02-10T11:42:35,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,291 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 2026-02-10T11:42:35,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,295 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 2026-02-10T11:42:35,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,305 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,307 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 2026-02-10T11:42:35,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,320 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 2026-02-10T11:42:35,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,332 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 2026-02-10T11:42:35,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,336 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,343 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 2026-02-10T11:42:35,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,351 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 2026-02-10T11:42:35,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,361 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 2026-02-10T11:42:35,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,375 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 2026-02-10T11:42:35,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,380 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 2026-02-10T11:42:35,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,388 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 2026-02-10T11:42:35,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,393 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,395 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 2026-02-10T11:42:35,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,399 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 2026-02-10T11:42:35,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,420 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 2026-02-10T11:42:35,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,426 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 2026-02-10T11:42:35,428 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 2026-02-10T11:42:35,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,440 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 2026-02-10T11:42:35,442 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 2026-02-10T11:42:35,444 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 2026-02-10T11:42:35,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,454 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 2026-02-10T11:42:35,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,459 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 2026-02-10T11:42:35,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,463 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 2026-02-10T11:42:35,465 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 2026-02-10T11:42:35,467 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 2026-02-10T11:42:35,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,471 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 2026-02-10T11:42:35,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,475 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 2026-02-10T11:42:35,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,490 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 2026-02-10T11:42:35,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:35,496 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:35,689 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,914 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,977 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:35,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,005 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,073 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,124 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,238 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,261 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,263 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,284 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,320 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,393 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,404 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,413 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,498 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,567 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:36,906 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:36,933 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:36,972 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:36,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:37,032 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,035 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,059 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,124 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:37,152 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:37,211 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,238 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,284 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:37,398 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,498 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:37,575 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:37,614 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:42:37,615 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 2026-02-10T11:42:37,617 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 2026-02-10T11:42:37,619 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 2026-02-10T11:42:37,621 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 2026-02-10T11:42:37,623 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 2026-02-10T11:42:37,625 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 2026-02-10T11:42:37,627 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 2026-02-10T11:42:37,628 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 2026-02-10T11:42:37,630 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 2026-02-10T11:42:37,632 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 2026-02-10T11:42:37,634 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 2026-02-10T11:42:37,636 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 2026-02-10T11:42:37,638 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 2026-02-10T11:42:37,640 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 2026-02-10T11:42:37,642 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 2026-02-10T11:42:37,644 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 2026-02-10T11:42:37,646 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 2026-02-10T11:42:37,648 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 2026-02-10T11:42:37,650 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 2026-02-10T11:42:37,651 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 2026-02-10T11:42:37,653 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 2026-02-10T11:42:37,655 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 2026-02-10T11:42:37,657 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 2026-02-10T11:42:37,659 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 2026-02-10T11:42:37,661 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 2026-02-10T11:42:37,662 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 2026-02-10T11:42:37,664 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 2026-02-10T11:42:37,666 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 2026-02-10T11:42:37,668 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 2026-02-10T11:42:37,670 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 2026-02-10T11:42:37,671 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 2026-02-10T11:42:37,673 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 2026-02-10T11:42:37,675 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 2026-02-10T11:42:37,677 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 2026-02-10T11:42:37,679 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 2026-02-10T11:42:37,681 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 2026-02-10T11:42:37,683 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 2026-02-10T11:42:37,685 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 2026-02-10T11:42:37,687 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 2026-02-10T11:42:37,688 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 2026-02-10T11:42:37,690 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 2026-02-10T11:42:37,692 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 2026-02-10T11:42:37,699 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 2026-02-10T11:42:37,702 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 2026-02-10T11:42:37,703 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 2026-02-10T11:42:37,705 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 2026-02-10T11:42:37,707 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 2026-02-10T11:42:37,709 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 2026-02-10T11:42:37,711 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 2026-02-10T11:42:37,713 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 2026-02-10T11:42:37,715 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 2026-02-10T11:42:37,717 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 2026-02-10T11:42:37,719 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 2026-02-10T11:42:37,721 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 2026-02-10T11:42:37,723 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 2026-02-10T11:42:37,725 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 2026-02-10T11:42:37,727 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 2026-02-10T11:42:37,729 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 2026-02-10T11:42:37,731 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 2026-02-10T11:42:37,733 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 2026-02-10T11:42:37,735 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 2026-02-10T11:42:37,737 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 2026-02-10T11:42:37,739 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 2026-02-10T11:42:37,740 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 2026-02-10T11:42:37,742 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 2026-02-10T11:42:37,744 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 2026-02-10T11:42:37,746 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 2026-02-10T11:42:37,748 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 2026-02-10T11:42:37,750 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 2026-02-10T11:42:37,752 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 2026-02-10T11:42:37,754 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 2026-02-10T11:42:37,756 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 2026-02-10T11:42:37,758 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 2026-02-10T11:42:37,760 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 2026-02-10T11:42:37,762 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 2026-02-10T11:42:37,764 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 2026-02-10T11:42:37,766 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 2026-02-10T11:42:37,768 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 2026-02-10T11:42:37,769 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 2026-02-10T11:42:37,772 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 2026-02-10T11:42:37,774 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 2026-02-10T11:42:37,776 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 2026-02-10T11:42:37,778 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 2026-02-10T11:42:37,780 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 2026-02-10T11:42:37,782 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 2026-02-10T11:42:37,784 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 2026-02-10T11:42:37,785 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 2026-02-10T11:42:37,787 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 2026-02-10T11:42:37,789 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 2026-02-10T11:42:37,791 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 2026-02-10T11:42:37,793 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 2026-02-10T11:42:37,795 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 2026-02-10T11:42:37,797 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 2026-02-10T11:42:37,799 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 2026-02-10T11:42:37,800 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 2026-02-10T11:42:37,802 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 2026-02-10T11:42:37,804 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 2026-02-10T11:42:37,805 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 2026-02-10T11:42:37,807 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 2026-02-10T11:42:37,809 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 2026-02-10T11:42:37,811 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 2026-02-10T11:42:37,812 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 2026-02-10T11:42:37,814 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 2026-02-10T11:42:37,816 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 2026-02-10T11:42:37,818 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 2026-02-10T11:42:37,819 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 2026-02-10T11:42:37,821 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 2026-02-10T11:42:37,823 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 2026-02-10T11:42:37,824 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 2026-02-10T11:42:37,826 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 2026-02-10T11:42:37,828 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 2026-02-10T11:42:37,830 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 2026-02-10T11:42:37,832 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 2026-02-10T11:42:37,834 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 2026-02-10T11:42:37,835 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 2026-02-10T11:42:37,837 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 2026-02-10T11:42:37,839 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 2026-02-10T11:42:37,841 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 2026-02-10T11:42:37,842 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 2026-02-10T11:42:37,844 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 2026-02-10T11:42:37,846 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 2026-02-10T11:42:37,848 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 2026-02-10T11:42:37,849 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 2026-02-10T11:42:37,851 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 2026-02-10T11:42:37,853 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 2026-02-10T11:42:37,855 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 2026-02-10T11:42:37,857 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 2026-02-10T11:42:37,858 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 2026-02-10T11:42:37,860 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 2026-02-10T11:42:37,862 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 2026-02-10T11:42:37,864 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 2026-02-10T11:42:37,866 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 2026-02-10T11:42:37,868 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 2026-02-10T11:42:37,869 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 2026-02-10T11:42:37,871 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 2026-02-10T11:42:37,873 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 2026-02-10T11:42:37,875 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 2026-02-10T11:42:37,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:42:37,879 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 2026-02-10T11:42:37,880 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 2026-02-10T11:42:37,882 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 2026-02-10T11:42:37,884 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 2026-02-10T11:42:37,886 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 2026-02-10T11:42:37,887 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 2026-02-10T11:42:37,889 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 2026-02-10T11:42:37,891 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 2026-02-10T11:42:37,893 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 2026-02-10T11:42:37,895 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 2026-02-10T11:42:37,897 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 2026-02-10T11:42:37,899 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 2026-02-10T11:42:37,900 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 2026-02-10T11:42:37,902 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 2026-02-10T11:42:37,904 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 2026-02-10T11:42:37,906 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 2026-02-10T11:42:37,908 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 2026-02-10T11:42:37,909 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 2026-02-10T11:42:37,911 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 2026-02-10T11:42:37,913 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 2026-02-10T11:42:37,915 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 2026-02-10T11:42:37,917 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 2026-02-10T11:42:37,918 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 2026-02-10T11:42:37,920 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 2026-02-10T11:42:37,922 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 2026-02-10T11:42:37,924 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 2026-02-10T11:42:37,926 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 2026-02-10T11:42:37,927 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 2026-02-10T11:42:37,929 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 2026-02-10T11:42:37,931 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 2026-02-10T11:42:37,933 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 2026-02-10T11:42:37,934 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 2026-02-10T11:42:37,936 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 2026-02-10T11:42:37,938 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 2026-02-10T11:42:37,940 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 2026-02-10T11:42:37,941 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 2026-02-10T11:42:37,943 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 2026-02-10T11:42:37,945 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 2026-02-10T11:42:37,947 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 2026-02-10T11:42:37,948 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 2026-02-10T11:42:37,950 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 2026-02-10T11:42:37,952 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 2026-02-10T11:42:37,954 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 2026-02-10T11:42:37,956 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 2026-02-10T11:42:37,957 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 2026-02-10T11:42:37,959 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 2026-02-10T11:42:37,961 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 2026-02-10T11:42:37,963 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 2026-02-10T11:42:37,964 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 2026-02-10T11:42:37,966 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 2026-02-10T11:42:37,968 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 2026-02-10T11:42:37,970 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 2026-02-10T11:42:37,971 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 2026-02-10T11:42:37,973 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 2026-02-10T11:42:37,975 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 2026-02-10T11:42:37,977 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 2026-02-10T11:42:37,979 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 2026-02-10T11:42:37,981 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 2026-02-10T11:42:37,982 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 2026-02-10T11:42:37,984 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 2026-02-10T11:42:37,986 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 2026-02-10T11:42:37,988 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 2026-02-10T11:42:37,990 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 2026-02-10T11:42:37,991 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 2026-02-10T11:42:37,993 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 2026-02-10T11:42:37,995 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 2026-02-10T11:42:37,997 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 2026-02-10T11:42:37,998 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 2026-02-10T11:42:38,000 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 2026-02-10T11:42:38,002 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 2026-02-10T11:42:38,004 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 2026-02-10T11:42:38,006 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 2026-02-10T11:42:38,008 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 2026-02-10T11:42:38,010 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 2026-02-10T11:42:38,012 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 2026-02-10T11:42:38,014 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 2026-02-10T11:42:38,016 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 2026-02-10T11:42:38,017 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 2026-02-10T11:42:38,019 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 2026-02-10T11:42:38,021 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 2026-02-10T11:42:38,023 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 2026-02-10T11:42:38,025 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 2026-02-10T11:42:38,028 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 2026-02-10T11:42:38,029 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 2026-02-10T11:42:38,031 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 2026-02-10T11:42:38,033 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 2026-02-10T11:42:38,035 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 2026-02-10T11:42:38,037 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 2026-02-10T11:42:38,039 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 2026-02-10T11:42:38,040 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 2026-02-10T11:42:38,043 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 2026-02-10T11:42:38,044 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 2026-02-10T11:42:38,046 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 2026-02-10T11:42:38,048 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 2026-02-10T11:42:38,050 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 2026-02-10T11:42:38,051 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 2026-02-10T11:42:38,053 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 2026-02-10T11:42:38,056 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 2026-02-10T11:42:38,057 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 2026-02-10T11:42:38,059 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 2026-02-10T11:42:38,061 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 2026-02-10T11:42:38,063 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 2026-02-10T11:42:38,065 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 2026-02-10T11:42:38,067 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 2026-02-10T11:42:38,069 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 2026-02-10T11:42:38,070 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 2026-02-10T11:42:38,072 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 2026-02-10T11:42:38,074 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 2026-02-10T11:42:38,075 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 2026-02-10T11:42:38,077 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 2026-02-10T11:42:38,079 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 2026-02-10T11:42:38,080 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 2026-02-10T11:42:38,082 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 2026-02-10T11:42:38,084 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 2026-02-10T11:42:38,086 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 2026-02-10T11:42:38,087 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 2026-02-10T11:42:38,089 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 2026-02-10T11:42:38,091 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 2026-02-10T11:42:38,093 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 2026-02-10T11:42:38,095 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 2026-02-10T11:42:38,098 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 2026-02-10T11:42:38,100 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 2026-02-10T11:42:38,103 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 2026-02-10T11:42:38,105 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 2026-02-10T11:42:38,106 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 2026-02-10T11:42:38,108 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 2026-02-10T11:42:38,110 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 2026-02-10T11:42:38,111 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 2026-02-10T11:42:38,113 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 2026-02-10T11:42:38,115 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 2026-02-10T11:42:38,117 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 2026-02-10T11:42:38,118 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 2026-02-10T11:42:38,120 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 2026-02-10T11:42:38,122 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 2026-02-10T11:42:38,124 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 2026-02-10T11:42:38,126 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 2026-02-10T11:42:38,128 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 2026-02-10T11:42:38,130 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 2026-02-10T11:42:38,132 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 2026-02-10T11:42:38,133 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 2026-02-10T11:42:38,135 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 2026-02-10T11:42:38,137 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 2026-02-10T11:42:38,139 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 2026-02-10T11:42:38,141 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 2026-02-10T11:42:38,143 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 2026-02-10T11:42:38,145 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 2026-02-10T11:42:38,146 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 2026-02-10T11:42:38,148 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 2026-02-10T11:42:38,150 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 2026-02-10T11:42:38,151 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 2026-02-10T11:42:38,153 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 2026-02-10T11:42:38,155 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 2026-02-10T11:42:38,157 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 2026-02-10T11:42:38,159 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 2026-02-10T11:42:38,160 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 2026-02-10T11:42:38,162 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 2026-02-10T11:42:38,164 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 2026-02-10T11:42:38,166 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 2026-02-10T11:42:38,168 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 2026-02-10T11:42:38,170 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 2026-02-10T11:42:38,172 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 2026-02-10T11:42:38,174 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 2026-02-10T11:42:38,176 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 2026-02-10T11:42:38,177 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 2026-02-10T11:42:38,179 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 2026-02-10T11:42:38,181 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 2026-02-10T11:42:38,183 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 2026-02-10T11:42:38,184 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 2026-02-10T11:42:38,186 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 2026-02-10T11:42:38,188 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 2026-02-10T11:42:38,189 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 2026-02-10T11:42:38,191 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 2026-02-10T11:42:38,193 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 2026-02-10T11:42:38,195 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 2026-02-10T11:42:38,197 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 2026-02-10T11:42:38,199 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 2026-02-10T11:42:38,200 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 2026-02-10T11:42:38,202 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 2026-02-10T11:42:38,204 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 2026-02-10T11:42:38,207 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 2026-02-10T11:42:38,209 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 2026-02-10T11:42:38,211 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 2026-02-10T11:42:38,212 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 2026-02-10T11:42:38,214 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 2026-02-10T11:42:38,216 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 2026-02-10T11:42:38,218 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 2026-02-10T11:42:38,220 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 2026-02-10T11:42:38,222 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 2026-02-10T11:42:38,223 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 2026-02-10T11:42:38,225 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 2026-02-10T11:42:38,227 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 2026-02-10T11:42:38,229 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 2026-02-10T11:42:38,231 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 2026-02-10T11:42:38,233 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 2026-02-10T11:42:38,234 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 2026-02-10T11:42:38,236 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 2026-02-10T11:42:38,238 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 2026-02-10T11:42:38,240 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 2026-02-10T11:42:38,242 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 2026-02-10T11:42:38,243 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 2026-02-10T11:42:38,245 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 2026-02-10T11:42:38,247 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 2026-02-10T11:42:38,249 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 2026-02-10T11:42:38,251 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 2026-02-10T11:42:38,253 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 2026-02-10T11:42:38,255 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 2026-02-10T11:42:38,257 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 2026-02-10T11:42:38,259 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 2026-02-10T11:42:38,260 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 2026-02-10T11:42:38,262 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 2026-02-10T11:42:38,264 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 2026-02-10T11:42:38,266 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 2026-02-10T11:42:38,268 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 2026-02-10T11:42:38,269 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 2026-02-10T11:42:38,271 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 2026-02-10T11:42:38,273 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 2026-02-10T11:42:38,275 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 2026-02-10T11:42:38,276 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 2026-02-10T11:42:38,278 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 2026-02-10T11:42:38,280 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 2026-02-10T11:42:38,282 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 2026-02-10T11:42:38,284 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 2026-02-10T11:42:38,286 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 2026-02-10T11:42:38,287 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 2026-02-10T11:42:38,289 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 2026-02-10T11:42:38,291 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 2026-02-10T11:42:38,293 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 2026-02-10T11:42:38,295 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 2026-02-10T11:42:38,297 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 2026-02-10T11:42:38,298 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 2026-02-10T11:42:38,300 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 2026-02-10T11:42:38,302 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 2026-02-10T11:42:38,304 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 2026-02-10T11:42:38,305 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 2026-02-10T11:42:38,307 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 2026-02-10T11:42:38,309 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 2026-02-10T11:42:38,311 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 2026-02-10T11:42:38,313 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 2026-02-10T11:42:38,315 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 2026-02-10T11:42:38,316 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 2026-02-10T11:42:38,318 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 2026-02-10T11:42:38,320 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 2026-02-10T11:42:38,322 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 2026-02-10T11:42:38,324 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 2026-02-10T11:42:38,326 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 2026-02-10T11:42:38,328 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 2026-02-10T11:42:38,330 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 2026-02-10T11:42:38,332 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 2026-02-10T11:42:38,334 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 2026-02-10T11:42:38,336 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 2026-02-10T11:42:38,337 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 2026-02-10T11:42:38,339 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 2026-02-10T11:42:38,341 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 2026-02-10T11:42:38,342 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 2026-02-10T11:42:38,344 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 2026-02-10T11:42:38,346 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 2026-02-10T11:42:38,347 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 2026-02-10T11:42:38,349 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 2026-02-10T11:42:38,351 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 2026-02-10T11:42:38,353 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 2026-02-10T11:42:38,354 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 2026-02-10T11:42:38,356 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 2026-02-10T11:42:38,358 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 2026-02-10T11:42:38,360 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 2026-02-10T11:42:38,362 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 2026-02-10T11:42:38,363 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 2026-02-10T11:42:38,365 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 2026-02-10T11:42:38,367 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 2026-02-10T11:42:38,369 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 2026-02-10T11:42:38,371 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 2026-02-10T11:42:38,373 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 2026-02-10T11:42:38,375 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 2026-02-10T11:42:38,377 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 2026-02-10T11:42:38,378 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 2026-02-10T11:42:38,380 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 2026-02-10T11:42:38,382 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 2026-02-10T11:42:38,384 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:38,416 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,498 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,594 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,724 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:38,796 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:38,886 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,989 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:38,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,005 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,059 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,073 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,124 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,310 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,320 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,336 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,498 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,509 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:39,861 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:39,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:39,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:39,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:39,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:39,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:39,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:39,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:39,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:39,881 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,886 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 2026-02-10T11:42:39,888 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 2026-02-10T11:42:39,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,892 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 2026-02-10T11:42:39,894 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 2026-02-10T11:42:39,896 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 2026-02-10T11:42:39,897 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 2026-02-10T11:42:39,899 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 2026-02-10T11:42:39,901 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 2026-02-10T11:42:39,902 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 2026-02-10T11:42:39,904 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 2026-02-10T11:42:39,906 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 2026-02-10T11:42:39,908 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 2026-02-10T11:42:39,909 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 2026-02-10T11:42:39,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,915 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 2026-02-10T11:42:39,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,919 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 2026-02-10T11:42:39,920 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 2026-02-10T11:42:39,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,928 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 2026-02-10T11:42:39,930 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 2026-02-10T11:42:39,932 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 2026-02-10T11:42:39,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,935 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 2026-02-10T11:42:39,937 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 2026-02-10T11:42:39,939 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 2026-02-10T11:42:39,941 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 2026-02-10T11:42:39,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,944 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 2026-02-10T11:42:39,946 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 2026-02-10T11:42:39,947 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 2026-02-10T11:42:39,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,951 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 2026-02-10T11:42:39,953 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 2026-02-10T11:42:39,955 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 2026-02-10T11:42:39,956 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 2026-02-10T11:42:39,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,960 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 2026-02-10T11:42:39,961 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 2026-02-10T11:42:39,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,965 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 2026-02-10T11:42:39,967 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 2026-02-10T11:42:39,969 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 2026-02-10T11:42:39,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,975 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 2026-02-10T11:42:39,977 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,978 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 2026-02-10T11:42:39,980 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 2026-02-10T11:42:39,982 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 2026-02-10T11:42:39,983 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 2026-02-10T11:42:39,985 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 2026-02-10T11:42:39,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,989 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 2026-02-10T11:42:39,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,994 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 2026-02-10T11:42:39,996 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 2026-02-10T11:42:39,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:39,999 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 2026-02-10T11:42:40,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,003 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 2026-02-10T11:42:40,005 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 2026-02-10T11:42:40,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,010 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 2026-02-10T11:42:40,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,014 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 2026-02-10T11:42:40,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,017 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 2026-02-10T11:42:40,019 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 2026-02-10T11:42:40,020 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 2026-02-10T11:42:40,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,026 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 2026-02-10T11:42:40,027 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 2026-02-10T11:42:40,029 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 2026-02-10T11:42:40,031 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 2026-02-10T11:42:40,033 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 2026-02-10T11:42:40,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,038 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 2026-02-10T11:42:40,040 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 2026-02-10T11:42:40,042 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 2026-02-10T11:42:40,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,045 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 2026-02-10T11:42:40,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,049 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 2026-02-10T11:42:40,051 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 2026-02-10T11:42:40,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,054 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 2026-02-10T11:42:40,056 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 2026-02-10T11:42:40,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,059 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 2026-02-10T11:42:40,061 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 2026-02-10T11:42:40,062 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 2026-02-10T11:42:40,064 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 2026-02-10T11:42:40,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,068 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 2026-02-10T11:42:40,070 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 2026-02-10T11:42:40,071 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 2026-02-10T11:42:40,073 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,075 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 2026-02-10T11:42:40,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,079 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 2026-02-10T11:42:40,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,084 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 2026-02-10T11:42:40,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,090 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 2026-02-10T11:42:40,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,094 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 2026-02-10T11:42:40,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,099 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 2026-02-10T11:42:40,101 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 2026-02-10T11:42:40,103 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 2026-02-10T11:42:40,104 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 2026-02-10T11:42:40,106 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 2026-02-10T11:42:40,108 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 2026-02-10T11:42:40,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,113 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 2026-02-10T11:42:40,115 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 2026-02-10T11:42:40,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,120 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 2026-02-10T11:42:40,122 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 2026-02-10T11:42:40,124 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 2026-02-10T11:42:40,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,127 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 2026-02-10T11:42:40,129 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 2026-02-10T11:42:40,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,134 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 2026-02-10T11:42:40,136 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 2026-02-10T11:42:40,138 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 2026-02-10T11:42:40,139 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 2026-02-10T11:42:40,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,144 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 2026-02-10T11:42:40,146 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 2026-02-10T11:42:40,148 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 2026-02-10T11:42:40,149 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 2026-02-10T11:42:40,151 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 2026-02-10T11:42:40,153 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 2026-02-10T11:42:40,155 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 2026-02-10T11:42:40,156 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 2026-02-10T11:42:40,158 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 2026-02-10T11:42:40,160 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 2026-02-10T11:42:40,162 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 2026-02-10T11:42:40,165 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 2026-02-10T11:42:40,167 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 2026-02-10T11:42:40,168 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 2026-02-10T11:42:40,170 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 2026-02-10T11:42:40,172 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 2026-02-10T11:42:40,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,175 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 2026-02-10T11:42:40,177 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 2026-02-10T11:42:40,179 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 2026-02-10T11:42:40,181 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 2026-02-10T11:42:40,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,184 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 2026-02-10T11:42:40,186 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 2026-02-10T11:42:40,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,190 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 2026-02-10T11:42:40,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,193 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 2026-02-10T11:42:40,195 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 2026-02-10T11:42:40,197 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 2026-02-10T11:42:40,199 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 2026-02-10T11:42:40,201 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 2026-02-10T11:42:40,203 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 2026-02-10T11:42:40,205 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 2026-02-10T11:42:40,206 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 2026-02-10T11:42:40,208 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 2026-02-10T11:42:40,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,212 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 2026-02-10T11:42:40,214 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 2026-02-10T11:42:40,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,217 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 2026-02-10T11:42:40,219 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 2026-02-10T11:42:40,221 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 2026-02-10T11:42:40,222 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 2026-02-10T11:42:40,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,226 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 2026-02-10T11:42:40,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,229 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 2026-02-10T11:42:40,231 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 2026-02-10T11:42:40,233 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 2026-02-10T11:42:40,235 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 2026-02-10T11:42:40,237 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 2026-02-10T11:42:40,239 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 2026-02-10T11:42:40,242 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 2026-02-10T11:42:40,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:40,248 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 2026-02-10T11:42:40,250 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 2026-02-10T11:42:40,252 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,253 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 2026-02-10T11:42:40,255 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 2026-02-10T11:42:40,257 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 2026-02-10T11:42:40,258 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 2026-02-10T11:42:40,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,262 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 2026-02-10T11:42:40,264 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 2026-02-10T11:42:40,266 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 2026-02-10T11:42:40,267 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 2026-02-10T11:42:40,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,271 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 2026-02-10T11:42:40,273 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 2026-02-10T11:42:40,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,279 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 2026-02-10T11:42:40,281 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 2026-02-10T11:42:40,283 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 2026-02-10T11:42:40,285 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 2026-02-10T11:42:40,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,294 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 2026-02-10T11:42:40,296 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 2026-02-10T11:42:40,298 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 2026-02-10T11:42:40,299 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 2026-02-10T11:42:40,301 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 2026-02-10T11:42:40,303 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 2026-02-10T11:42:40,305 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 2026-02-10T11:42:40,306 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 2026-02-10T11:42:40,308 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 2026-02-10T11:42:40,310 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 2026-02-10T11:42:40,312 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 2026-02-10T11:42:40,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,318 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 2026-02-10T11:42:40,320 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 2026-02-10T11:42:40,322 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 2026-02-10T11:42:40,324 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 2026-02-10T11:42:40,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,329 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 2026-02-10T11:42:40,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:40,334 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,346 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 2026-02-10T11:42:40,348 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 2026-02-10T11:42:40,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,356 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 2026-02-10T11:42:40,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,360 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 2026-02-10T11:42:40,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,374 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 2026-02-10T11:42:40,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,377 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 2026-02-10T11:42:40,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,380 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 2026-02-10T11:42:40,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,385 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 2026-02-10T11:42:40,386 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 2026-02-10T11:42:40,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,393 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,397 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 2026-02-10T11:42:40,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,404 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,413 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:40,431 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 2026-02-10T11:42:40,433 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 2026-02-10T11:42:40,435 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:40,484 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:40,554 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,567 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:40,593 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:40,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:40,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:40,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:40,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:40,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:40,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:40,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:40,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:40,610 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:40,676 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:40,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,026 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,035 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,059 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:41,094 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:41,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:41,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:41,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:41,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:41,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:41,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:41,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:41,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:41,112 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,124 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,213 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,238 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,263 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,305 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,336 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,404 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:41,412 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,413 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:41,460 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,498 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:41,820 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:42:41,821 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 2026-02-10T11:42:41,823 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 2026-02-10T11:42:41,825 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 2026-02-10T11:42:41,828 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 2026-02-10T11:42:41,830 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 2026-02-10T11:42:41,832 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 2026-02-10T11:42:41,834 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 2026-02-10T11:42:41,835 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 2026-02-10T11:42:41,837 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 2026-02-10T11:42:41,839 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 2026-02-10T11:42:41,840 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 2026-02-10T11:42:41,842 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 2026-02-10T11:42:41,844 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 2026-02-10T11:42:41,846 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 2026-02-10T11:42:41,847 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 2026-02-10T11:42:41,849 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 2026-02-10T11:42:41,850 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 2026-02-10T11:42:41,852 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 2026-02-10T11:42:41,854 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 2026-02-10T11:42:41,856 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 2026-02-10T11:42:41,857 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 2026-02-10T11:42:41,859 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 2026-02-10T11:42:41,861 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 2026-02-10T11:42:41,863 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 2026-02-10T11:42:41,865 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 2026-02-10T11:42:41,866 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 2026-02-10T11:42:41,868 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 2026-02-10T11:42:41,870 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 2026-02-10T11:42:41,872 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 2026-02-10T11:42:41,873 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 2026-02-10T11:42:41,875 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 2026-02-10T11:42:41,877 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 2026-02-10T11:42:41,879 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 2026-02-10T11:42:41,880 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 2026-02-10T11:42:41,882 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 2026-02-10T11:42:41,883 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 2026-02-10T11:42:41,885 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 2026-02-10T11:42:41,887 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 2026-02-10T11:42:41,889 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 2026-02-10T11:42:41,890 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 2026-02-10T11:42:41,892 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 2026-02-10T11:42:41,894 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 2026-02-10T11:42:41,895 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 2026-02-10T11:42:41,897 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 2026-02-10T11:42:41,899 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 2026-02-10T11:42:41,901 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 2026-02-10T11:42:41,903 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 2026-02-10T11:42:41,905 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 2026-02-10T11:42:41,906 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 2026-02-10T11:42:41,908 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 2026-02-10T11:42:41,910 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 2026-02-10T11:42:41,911 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 2026-02-10T11:42:41,913 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 2026-02-10T11:42:41,915 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 2026-02-10T11:42:41,916 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 2026-02-10T11:42:41,918 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 2026-02-10T11:42:41,920 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 2026-02-10T11:42:41,922 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 2026-02-10T11:42:41,923 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 2026-02-10T11:42:41,925 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 2026-02-10T11:42:41,927 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 2026-02-10T11:42:41,929 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 2026-02-10T11:42:41,931 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 2026-02-10T11:42:41,932 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 2026-02-10T11:42:41,934 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 2026-02-10T11:42:41,936 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 2026-02-10T11:42:41,938 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 2026-02-10T11:42:41,940 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 2026-02-10T11:42:41,941 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 2026-02-10T11:42:41,943 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 2026-02-10T11:42:41,945 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 2026-02-10T11:42:41,947 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 2026-02-10T11:42:41,948 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 2026-02-10T11:42:41,950 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 2026-02-10T11:42:41,951 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 2026-02-10T11:42:41,953 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 2026-02-10T11:42:41,955 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 2026-02-10T11:42:41,957 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 2026-02-10T11:42:41,958 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 2026-02-10T11:42:41,960 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 2026-02-10T11:42:41,962 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 2026-02-10T11:42:41,964 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 2026-02-10T11:42:41,966 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 2026-02-10T11:42:41,969 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 2026-02-10T11:42:41,971 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 2026-02-10T11:42:41,973 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 2026-02-10T11:42:41,976 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 2026-02-10T11:42:41,978 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 2026-02-10T11:42:41,980 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 2026-02-10T11:42:41,982 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 2026-02-10T11:42:41,986 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:41,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:41,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:41,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:41,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:41,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:41,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,026 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,035 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:42,115 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,124 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,238 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,261 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,263 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,284 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:42,349 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:42,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:42,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:42,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:42,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:42,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:42,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:42,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:42,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:42,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:42,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:42,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:42,375 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,379 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 2026-02-10T11:42:42,381 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 2026-02-10T11:42:42,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,386 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 2026-02-10T11:42:42,387 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 2026-02-10T11:42:42,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,393 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 2026-02-10T11:42:42,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,400 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 2026-02-10T11:42:42,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:42,409 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:42,573 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:42,596 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:42,944 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,989 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:42,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:43,038 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,073 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:43,096 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,124 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:43,187 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,213 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,261 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:43,315 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,393 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:43,428 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,498 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,509 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,567 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,592 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,594 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,912 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,914 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,989 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:43,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,213 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,238 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,263 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,271 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,305 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,310 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,444 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:44,530 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:42:44,531 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 2026-02-10T11:42:44,534 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 2026-02-10T11:42:44,536 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 2026-02-10T11:42:44,538 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 2026-02-10T11:42:44,541 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 2026-02-10T11:42:44,543 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 2026-02-10T11:42:44,546 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 2026-02-10T11:42:44,548 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 2026-02-10T11:42:44,550 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 2026-02-10T11:42:44,552 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 2026-02-10T11:42:44,555 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 2026-02-10T11:42:44,557 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 2026-02-10T11:42:44,559 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 2026-02-10T11:42:44,561 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 2026-02-10T11:42:44,564 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 2026-02-10T11:42:44,566 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 2026-02-10T11:42:44,568 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 2026-02-10T11:42:44,570 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 2026-02-10T11:42:44,572 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 2026-02-10T11:42:44,575 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 2026-02-10T11:42:44,577 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 2026-02-10T11:42:44,579 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 2026-02-10T11:42:44,581 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 2026-02-10T11:42:44,583 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 2026-02-10T11:42:44,585 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 2026-02-10T11:42:44,588 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 2026-02-10T11:42:44,590 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 2026-02-10T11:42:44,592 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 2026-02-10T11:42:44,594 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 2026-02-10T11:42:44,597 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 2026-02-10T11:42:44,599 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 2026-02-10T11:42:44,601 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 2026-02-10T11:42:44,603 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 2026-02-10T11:42:44,606 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 2026-02-10T11:42:44,608 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 2026-02-10T11:42:44,610 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 2026-02-10T11:42:44,612 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 2026-02-10T11:42:44,614 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 2026-02-10T11:42:44,616 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 2026-02-10T11:42:44,618 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 2026-02-10T11:42:44,620 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 2026-02-10T11:42:44,622 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 2026-02-10T11:42:44,624 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 2026-02-10T11:42:44,625 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 2026-02-10T11:42:44,627 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 2026-02-10T11:42:44,629 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 2026-02-10T11:42:44,631 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 2026-02-10T11:42:44,632 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 2026-02-10T11:42:44,635 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:44,707 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:44,756 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:44,849 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:44,970 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:42:44,971 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 2026-02-10T11:42:44,973 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 2026-02-10T11:42:44,975 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 2026-02-10T11:42:44,977 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 2026-02-10T11:42:44,979 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 2026-02-10T11:42:44,980 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 2026-02-10T11:42:44,982 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 2026-02-10T11:42:44,984 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 2026-02-10T11:42:44,986 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 2026-02-10T11:42:44,988 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 2026-02-10T11:42:44,989 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 2026-02-10T11:42:44,991 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 2026-02-10T11:42:44,993 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 2026-02-10T11:42:44,995 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 2026-02-10T11:42:44,997 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 2026-02-10T11:42:44,999 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 2026-02-10T11:42:45,001 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 2026-02-10T11:42:45,002 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 2026-02-10T11:42:45,004 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 2026-02-10T11:42:45,006 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 2026-02-10T11:42:45,008 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 2026-02-10T11:42:45,010 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 2026-02-10T11:42:45,011 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 2026-02-10T11:42:45,013 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 2026-02-10T11:42:45,015 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 2026-02-10T11:42:45,017 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 2026-02-10T11:42:45,018 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 2026-02-10T11:42:45,020 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 2026-02-10T11:42:45,021 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 2026-02-10T11:42:45,023 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 2026-02-10T11:42:45,025 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 2026-02-10T11:42:45,027 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 2026-02-10T11:42:45,028 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 2026-02-10T11:42:45,030 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 2026-02-10T11:42:45,032 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 2026-02-10T11:42:45,034 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 2026-02-10T11:42:45,035 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 2026-02-10T11:42:45,037 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 2026-02-10T11:42:45,039 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 2026-02-10T11:42:45,041 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 2026-02-10T11:42:45,042 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 2026-02-10T11:42:45,044 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 2026-02-10T11:42:45,046 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 2026-02-10T11:42:45,048 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 2026-02-10T11:42:45,050 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 2026-02-10T11:42:45,051 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 2026-02-10T11:42:45,053 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 2026-02-10T11:42:45,054 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 2026-02-10T11:42:45,056 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 2026-02-10T11:42:45,058 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 2026-02-10T11:42:45,059 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 2026-02-10T11:42:45,061 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 2026-02-10T11:42:45,063 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 2026-02-10T11:42:45,064 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 2026-02-10T11:42:45,066 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 2026-02-10T11:42:45,068 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 2026-02-10T11:42:45,070 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 2026-02-10T11:42:45,071 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 2026-02-10T11:42:45,073 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 2026-02-10T11:42:45,075 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 2026-02-10T11:42:45,077 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 2026-02-10T11:42:45,079 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 2026-02-10T11:42:45,081 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 2026-02-10T11:42:45,082 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 2026-02-10T11:42:45,084 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 2026-02-10T11:42:45,086 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 2026-02-10T11:42:45,088 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 2026-02-10T11:42:45,090 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 2026-02-10T11:42:45,092 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 2026-02-10T11:42:45,093 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 2026-02-10T11:42:45,095 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 2026-02-10T11:42:45,097 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 2026-02-10T11:42:45,099 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 2026-02-10T11:42:45,100 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 2026-02-10T11:42:45,102 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 2026-02-10T11:42:45,104 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 2026-02-10T11:42:45,106 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 2026-02-10T11:42:45,107 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 2026-02-10T11:42:45,109 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 2026-02-10T11:42:45,111 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 2026-02-10T11:42:45,113 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 2026-02-10T11:42:45,114 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 2026-02-10T11:42:45,116 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 2026-02-10T11:42:45,118 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 2026-02-10T11:42:45,120 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 2026-02-10T11:42:45,121 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 2026-02-10T11:42:45,123 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 2026-02-10T11:42:45,125 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 2026-02-10T11:42:45,126 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 2026-02-10T11:42:45,128 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 2026-02-10T11:42:45,130 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 2026-02-10T11:42:45,132 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 2026-02-10T11:42:45,133 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 2026-02-10T11:42:45,135 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 2026-02-10T11:42:45,137 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 2026-02-10T11:42:45,139 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 2026-02-10T11:42:45,140 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 2026-02-10T11:42:45,142 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 2026-02-10T11:42:45,144 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 2026-02-10T11:42:45,146 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 2026-02-10T11:42:45,148 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 2026-02-10T11:42:45,149 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 2026-02-10T11:42:45,151 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 2026-02-10T11:42:45,153 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 2026-02-10T11:42:45,155 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 2026-02-10T11:42:45,157 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 2026-02-10T11:42:45,158 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 2026-02-10T11:42:45,160 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 2026-02-10T11:42:45,162 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 2026-02-10T11:42:45,164 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 2026-02-10T11:42:45,166 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 2026-02-10T11:42:45,169 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 2026-02-10T11:42:45,170 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 2026-02-10T11:42:45,172 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 2026-02-10T11:42:45,174 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 2026-02-10T11:42:45,176 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 2026-02-10T11:42:45,178 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 2026-02-10T11:42:45,180 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 2026-02-10T11:42:45,181 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 2026-02-10T11:42:45,183 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 2026-02-10T11:42:45,185 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 2026-02-10T11:42:45,187 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 2026-02-10T11:42:45,188 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 2026-02-10T11:42:45,190 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 2026-02-10T11:42:45,192 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 2026-02-10T11:42:45,193 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 2026-02-10T11:42:45,195 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 2026-02-10T11:42:45,197 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 2026-02-10T11:42:45,199 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 2026-02-10T11:42:45,201 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 2026-02-10T11:42:45,203 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 2026-02-10T11:42:45,204 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 2026-02-10T11:42:45,206 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 2026-02-10T11:42:45,207 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 2026-02-10T11:42:45,209 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 2026-02-10T11:42:45,211 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 2026-02-10T11:42:45,213 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 2026-02-10T11:42:45,214 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 2026-02-10T11:42:45,216 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 2026-02-10T11:42:45,218 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 2026-02-10T11:42:45,220 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 2026-02-10T11:42:45,222 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 2026-02-10T11:42:45,223 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 2026-02-10T11:42:45,225 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 2026-02-10T11:42:45,227 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 2026-02-10T11:42:45,229 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 2026-02-10T11:42:45,230 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 2026-02-10T11:42:45,232 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 2026-02-10T11:42:45,234 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 2026-02-10T11:42:45,236 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 2026-02-10T11:42:45,238 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 2026-02-10T11:42:45,239 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 2026-02-10T11:42:45,241 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 2026-02-10T11:42:45,242 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 2026-02-10T11:42:45,244 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 2026-02-10T11:42:45,246 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 2026-02-10T11:42:45,247 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 2026-02-10T11:42:45,249 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 2026-02-10T11:42:45,251 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 2026-02-10T11:42:45,253 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 2026-02-10T11:42:45,254 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 2026-02-10T11:42:45,256 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 2026-02-10T11:42:45,258 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 2026-02-10T11:42:45,260 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 2026-02-10T11:42:45,262 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 2026-02-10T11:42:45,263 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 2026-02-10T11:42:45,265 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 2026-02-10T11:42:45,267 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 2026-02-10T11:42:45,269 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 2026-02-10T11:42:45,270 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 2026-02-10T11:42:45,272 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 2026-02-10T11:42:45,274 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 2026-02-10T11:42:45,276 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 2026-02-10T11:42:45,278 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 2026-02-10T11:42:45,280 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 2026-02-10T11:42:45,281 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 2026-02-10T11:42:45,283 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 2026-02-10T11:42:45,285 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 2026-02-10T11:42:45,287 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 2026-02-10T11:42:45,288 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 2026-02-10T11:42:45,290 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 2026-02-10T11:42:45,292 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 2026-02-10T11:42:45,294 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 2026-02-10T11:42:45,296 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 2026-02-10T11:42:45,297 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 2026-02-10T11:42:45,299 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 2026-02-10T11:42:45,301 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 2026-02-10T11:42:45,303 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 2026-02-10T11:42:45,304 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 2026-02-10T11:42:45,306 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 2026-02-10T11:42:45,308 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 2026-02-10T11:42:45,310 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 2026-02-10T11:42:45,312 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 2026-02-10T11:42:45,313 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 2026-02-10T11:42:45,315 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 2026-02-10T11:42:45,317 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 2026-02-10T11:42:45,318 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 2026-02-10T11:42:45,320 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 2026-02-10T11:42:45,322 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 2026-02-10T11:42:45,324 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 2026-02-10T11:42:45,326 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 2026-02-10T11:42:45,329 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 2026-02-10T11:42:45,331 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 2026-02-10T11:42:45,333 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 2026-02-10T11:42:45,336 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 2026-02-10T11:42:45,338 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 2026-02-10T11:42:45,341 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 2026-02-10T11:42:45,343 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 2026-02-10T11:42:45,345 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 2026-02-10T11:42:45,347 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 2026-02-10T11:42:45,350 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 2026-02-10T11:42:45,352 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 2026-02-10T11:42:45,354 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 2026-02-10T11:42:45,357 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 2026-02-10T11:42:45,359 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 2026-02-10T11:42:45,361 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 2026-02-10T11:42:45,363 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 2026-02-10T11:42:45,365 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 2026-02-10T11:42:45,367 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 2026-02-10T11:42:45,369 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 2026-02-10T11:42:45,371 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 2026-02-10T11:42:45,373 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 2026-02-10T11:42:45,376 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 2026-02-10T11:42:45,378 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 2026-02-10T11:42:45,380 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 2026-02-10T11:42:45,383 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 2026-02-10T11:42:45,385 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 2026-02-10T11:42:45,387 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 2026-02-10T11:42:45,390 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 2026-02-10T11:42:45,392 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 2026-02-10T11:42:45,394 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 2026-02-10T11:42:45,397 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 2026-02-10T11:42:45,399 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 2026-02-10T11:42:45,401 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 2026-02-10T11:42:45,403 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 2026-02-10T11:42:45,406 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 2026-02-10T11:42:45,408 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 2026-02-10T11:42:45,410 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 2026-02-10T11:42:45,412 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 2026-02-10T11:42:45,414 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 2026-02-10T11:42:45,416 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 2026-02-10T11:42:45,418 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 2026-02-10T11:42:45,420 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 2026-02-10T11:42:45,423 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 2026-02-10T11:42:45,425 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 2026-02-10T11:42:45,426 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 2026-02-10T11:42:45,428 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 2026-02-10T11:42:45,430 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 2026-02-10T11:42:45,432 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 2026-02-10T11:42:45,434 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 2026-02-10T11:42:45,435 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 2026-02-10T11:42:45,437 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 2026-02-10T11:42:45,440 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 2026-02-10T11:42:45,441 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 2026-02-10T11:42:45,443 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 2026-02-10T11:42:45,445 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 2026-02-10T11:42:45,447 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 2026-02-10T11:42:45,448 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 2026-02-10T11:42:45,450 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 2026-02-10T11:42:45,452 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 2026-02-10T11:42:45,453 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 2026-02-10T11:42:45,455 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 2026-02-10T11:42:45,457 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 2026-02-10T11:42:45,459 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 2026-02-10T11:42:45,461 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 2026-02-10T11:42:45,462 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 2026-02-10T11:42:45,464 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 2026-02-10T11:42:45,466 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 2026-02-10T11:42:45,468 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 2026-02-10T11:42:45,470 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 2026-02-10T11:42:45,472 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 2026-02-10T11:42:45,474 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 2026-02-10T11:42:45,477 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 2026-02-10T11:42:45,479 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 2026-02-10T11:42:45,481 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 2026-02-10T11:42:45,483 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 2026-02-10T11:42:45,485 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 2026-02-10T11:42:45,487 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 2026-02-10T11:42:45,489 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 2026-02-10T11:42:45,491 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 2026-02-10T11:42:45,492 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 2026-02-10T11:42:45,494 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 2026-02-10T11:42:45,496 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 2026-02-10T11:42:45,497 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 2026-02-10T11:42:45,499 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 2026-02-10T11:42:45,501 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 2026-02-10T11:42:45,502 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 2026-02-10T11:42:45,504 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 2026-02-10T11:42:45,506 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 2026-02-10T11:42:45,508 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 2026-02-10T11:42:45,510 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 2026-02-10T11:42:45,512 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 2026-02-10T11:42:45,514 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 2026-02-10T11:42:45,516 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 2026-02-10T11:42:45,518 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:45,552 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:42:45,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:42:45,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:42:45,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:42:45,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:42:45,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:42:45,563 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:45,597 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:45,668 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,699 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,755 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 2026-02-10T11:42:45,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:45,795 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:45,855 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:45,938 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,005 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,026 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,035 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,271 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,305 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,310 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:46,337 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,413 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:46,463 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:46,532 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,592 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,594 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,724 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:46,762 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:46,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:46,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:46,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:46,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:46,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:46,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:46,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:46,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:46,781 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:46,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:47,137 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,138 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 2026-02-10T11:42:47,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,210 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 2026-02-10T11:42:47,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,244 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 2026-02-10T11:42:47,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:47,252 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,271 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,305 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,310 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:47,323 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6 2026-02-10T11:42:47,325 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:47,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:47,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:47,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:47,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:47,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:47,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:47,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:47,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:47,343 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,393 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,413 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:47,562 copying build/lib/xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset 2026-02-10T11:42:47,586 copying build/lib/xcbm/GMTKN55.py -> build/bdist.linux-armv7l/wheel/./xcbm 2026-02-10T11:42:47,590 creating build/bdist.linux-armv7l/wheel/xcbm/Input_Scripts 2026-02-10T11:42:47,591 copying build/lib/xcbm/Input_Scripts/calc_GMTKN55.py -> build/bdist.linux-armv7l/wheel/./xcbm/Input_Scripts 2026-02-10T11:42:47,594 copying build/lib/xcbm/Input_Scripts/calc_MGCDB84.py -> build/bdist.linux-armv7l/wheel/./xcbm/Input_Scripts 2026-02-10T11:42:47,601 running install_egg_info 2026-02-10T11:42:47,609 Copying xcbm.egg-info to build/bdist.linux-armv7l/wheel/./xcbm-0.1.7-py3.11.egg-info 2026-02-10T11:42:47,643 running install_scripts 2026-02-10T11:42:47,653 creating build/bdist.linux-armv7l/wheel/xcbm-0.1.7.dist-info/WHEEL 2026-02-10T11:42:47,656 creating '/tmp/pip-wheel-q0zij50n/.tmp-r1gu4fso/xcbm-0.1.7-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-02-10T11:42:47,659 adding 'xcbm/GMTKN55.py' 2026-02-10T11:42:47,661 adding 'xcbm/MGCDB84.py' 2026-02-10T11:42:47,664 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt' 2026-02-10T11:42:47,665 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt' 2026-02-10T11:42:47,666 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt' 2026-02-10T11:42:47,667 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt' 2026-02-10T11:42:47,668 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt' 2026-02-10T11:42:47,670 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt' 2026-02-10T11:42:47,671 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt' 2026-02-10T11:42:47,672 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt' 2026-02-10T11:42:47,673 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt' 2026-02-10T11:42:47,674 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt' 2026-02-10T11:42:47,676 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt' 2026-02-10T11:42:47,677 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt' 2026-02-10T11:42:47,678 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt' 2026-02-10T11:42:47,679 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt' 2026-02-10T11:42:47,680 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_C60ISO.txt' 2026-02-10T11:42:47,681 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt' 2026-02-10T11:42:47,682 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt' 2026-02-10T11:42:47,684 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt' 2026-02-10T11:42:47,685 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DARC.txt' 2026-02-10T11:42:47,686 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt' 2026-02-10T11:42:47,687 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt' 2026-02-10T11:42:47,688 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt' 2026-02-10T11:42:47,690 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt' 2026-02-10T11:42:47,691 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt' 2026-02-10T11:42:47,692 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt' 2026-02-10T11:42:47,693 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt' 2026-02-10T11:42:47,694 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt' 2026-02-10T11:42:47,695 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt' 2026-02-10T11:42:47,696 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt' 2026-02-10T11:42:47,697 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IDISP.txt' 2026-02-10T11:42:47,698 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt' 2026-02-10T11:42:47,700 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt' 2026-02-10T11:42:47,701 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt' 2026-02-10T11:42:47,702 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISOL24.txt' 2026-02-10T11:42:47,703 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt' 2026-02-10T11:42:47,704 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MCONF.txt' 2026-02-10T11:42:47,706 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_NBPRC.txt' 2026-02-10T11:42:47,707 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt' 2026-02-10T11:42:47,708 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt' 2026-02-10T11:42:47,709 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PCONF21.txt' 2026-02-10T11:42:47,710 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt' 2026-02-10T11:42:47,711 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt' 2026-02-10T11:42:47,712 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt' 2026-02-10T11:42:47,713 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt' 2026-02-10T11:42:47,714 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt' 2026-02-10T11:42:47,716 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt' 2026-02-10T11:42:47,717 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt' 2026-02-10T11:42:47,718 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SCONF.txt' 2026-02-10T11:42:47,719 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt' 2026-02-10T11:42:47,720 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SLIM05.txt' 2026-02-10T11:42:47,722 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt' 2026-02-10T11:42:47,723 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_UPU23.txt' 2026-02-10T11:42:47,724 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt' 2026-02-10T11:42:47,725 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt' 2026-02-10T11:42:47,726 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt' 2026-02-10T11:42:47,728 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt' 2026-02-10T11:42:47,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt' 2026-02-10T11:42:47,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt' 2026-02-10T11:42:47,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt' 2026-02-10T11:42:47,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt' 2026-02-10T11:42:47,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt' 2026-02-10T11:42:47,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt' 2026-02-10T11:42:47,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt' 2026-02-10T11:42:47,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt' 2026-02-10T11:42:47,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt' 2026-02-10T11:42:47,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt' 2026-02-10T11:42:47,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt' 2026-02-10T11:42:47,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt' 2026-02-10T11:42:47,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt' 2026-02-10T11:42:47,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt' 2026-02-10T11:42:47,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt' 2026-02-10T11:42:47,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt' 2026-02-10T11:42:47,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt' 2026-02-10T11:42:47,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt' 2026-02-10T11:42:47,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt' 2026-02-10T11:42:47,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt' 2026-02-10T11:42:47,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt' 2026-02-10T11:42:47,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt' 2026-02-10T11:42:47,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt' 2026-02-10T11:42:47,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt' 2026-02-10T11:42:47,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76.txt' 2026-02-10T11:42:47,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt' 2026-02-10T11:42:47,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt' 2026-02-10T11:42:47,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt' 2026-02-10T11:42:47,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt' 2026-02-10T11:42:47,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt' 2026-02-10T11:42:47,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt' 2026-02-10T11:42:47,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt' 2026-02-10T11:42:47,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt' 2026-02-10T11:42:47,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt' 2026-02-10T11:42:47,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt' 2026-02-10T11:42:47,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_INV24.txt' 2026-02-10T11:42:47,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_PA26.txt' 2026-02-10T11:42:47,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RG18.txt' 2026-02-10T11:42:47,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt' 2026-02-10T11:42:47,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt' 2026-02-10T11:42:47,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt' 2026-02-10T11:42:47,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt' 2026-02-10T11:42:47,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt' 2026-02-10T11:42:47,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt' 2026-02-10T11:42:47,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G/struc.xyz' 2026-02-10T11:42:47,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T/struc.xyz' 2026-02-10T11:42:47,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-/struc.xyz' 2026-02-10T11:42:47,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-/struc.xyz' 2026-02-10T11:42:47,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+/struc.xyz' 2026-02-10T11:42:47,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg/struc.xyz' 2026-02-10T11:42:47,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg/struc.xyz' 2026-02-10T11:42:47,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt/struc.xyz' 2026-02-10T11:42:47,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-/struc.xyz' 2026-02-10T11:42:47,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg/struc.xyz' 2026-02-10T11:42:47,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt/struc.xyz' 2026-02-10T11:42:47,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt/struc.xyz' 2026-02-10T11:42:47,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-/struc.xyz' 2026-02-10T11:42:47,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+/struc.xyz' 2026-02-10T11:42:47,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG/struc.xyz' 2026-02-10T11:42:47,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX/struc.xyz' 2026-02-10T11:42:47,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG/struc.xyz' 2026-02-10T11:42:47,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT/struc.xyz' 2026-02-10T11:42:47,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2/struc.xyz' 2026-02-10T11:42:47,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3/struc.xyz' 2026-02-10T11:42:47,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4/struc.xyz' 2026-02-10T11:42:47,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5/struc.xyz' 2026-02-10T11:42:47,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6/struc.xyz' 2026-02-10T11:42:47,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7/struc.xyz' 2026-02-10T11:42:47,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2/struc.xyz' 2026-02-10T11:42:47,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3/struc.xyz' 2026-02-10T11:42:47,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4/struc.xyz' 2026-02-10T11:42:47,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5/struc.xyz' 2026-02-10T11:42:47,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6/struc.xyz' 2026-02-10T11:42:47,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7/struc.xyz' 2026-02-10T11:42:47,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1/struc.xyz' 2026-02-10T11:42:47,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10/struc.xyz' 2026-02-10T11:42:47,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A/struc.xyz' 2026-02-10T11:42:47,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B/struc.xyz' 2026-02-10T11:42:47,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11/struc.xyz' 2026-02-10T11:42:47,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A/struc.xyz' 2026-02-10T11:42:47,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B/struc.xyz' 2026-02-10T11:42:47,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12/struc.xyz' 2026-02-10T11:42:47,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A/struc.xyz' 2026-02-10T11:42:47,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B/struc.xyz' 2026-02-10T11:42:47,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13/struc.xyz' 2026-02-10T11:42:47,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A/struc.xyz' 2026-02-10T11:42:47,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B/struc.xyz' 2026-02-10T11:42:47,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14/struc.xyz' 2026-02-10T11:42:47,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A/struc.xyz' 2026-02-10T11:42:47,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B/struc.xyz' 2026-02-10T11:42:47,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15/struc.xyz' 2026-02-10T11:42:47,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A/struc.xyz' 2026-02-10T11:42:47,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B/struc.xyz' 2026-02-10T11:42:47,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16/struc.xyz' 2026-02-10T11:42:47,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A/struc.xyz' 2026-02-10T11:42:47,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B/struc.xyz' 2026-02-10T11:42:47,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17/struc.xyz' 2026-02-10T11:42:47,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A/struc.xyz' 2026-02-10T11:42:47,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B/struc.xyz' 2026-02-10T11:42:47,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18/struc.xyz' 2026-02-10T11:42:47,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A/struc.xyz' 2026-02-10T11:42:47,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B/struc.xyz' 2026-02-10T11:42:47,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19/struc.xyz' 2026-02-10T11:42:47,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A/struc.xyz' 2026-02-10T11:42:47,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B/struc.xyz' 2026-02-10T11:42:47,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A/struc.xyz' 2026-02-10T11:42:47,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B/struc.xyz' 2026-02-10T11:42:47,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2/struc.xyz' 2026-02-10T11:42:47,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20/struc.xyz' 2026-02-10T11:42:47,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A/struc.xyz' 2026-02-10T11:42:47,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B/struc.xyz' 2026-02-10T11:42:47,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21/struc.xyz' 2026-02-10T11:42:47,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A/struc.xyz' 2026-02-10T11:42:47,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B/struc.xyz' 2026-02-10T11:42:47,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A/struc.xyz' 2026-02-10T11:42:47,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B/struc.xyz' 2026-02-10T11:42:47,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3/struc.xyz' 2026-02-10T11:42:47,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A/struc.xyz' 2026-02-10T11:42:47,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B/struc.xyz' 2026-02-10T11:42:47,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4/struc.xyz' 2026-02-10T11:42:47,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A/struc.xyz' 2026-02-10T11:42:47,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B/struc.xyz' 2026-02-10T11:42:47,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5/struc.xyz' 2026-02-10T11:42:47,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A/struc.xyz' 2026-02-10T11:42:47,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B/struc.xyz' 2026-02-10T11:42:47,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6/struc.xyz' 2026-02-10T11:42:47,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A/struc.xyz' 2026-02-10T11:42:47,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B/struc.xyz' 2026-02-10T11:42:47,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7/struc.xyz' 2026-02-10T11:42:47,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A/struc.xyz' 2026-02-10T11:42:47,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B/struc.xyz' 2026-02-10T11:42:47,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8/struc.xyz' 2026-02-10T11:42:47,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A/struc.xyz' 2026-02-10T11:42:47,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B/struc.xyz' 2026-02-10T11:42:47,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9/struc.xyz' 2026-02-10T11:42:47,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A/struc.xyz' 2026-02-10T11:42:47,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B/struc.xyz' 2026-02-10T11:42:47,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6/struc.xyz' 2026-02-10T11:42:47,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6/struc.xyz' 2026-02-10T11:42:47,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6/struc.xyz' 2026-02-10T11:42:47,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4/struc.xyz' 2026-02-10T11:42:47,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5/struc.xyz' 2026-02-10T11:42:47,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6/struc.xyz' 2026-02-10T11:42:47,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3/struc.xyz' 2026-02-10T11:42:47,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3/struc.xyz' 2026-02-10T11:42:47,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3/struc.xyz' 2026-02-10T11:42:47,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2/struc.xyz' 2026-02-10T11:42:47,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3/struc.xyz' 2026-02-10T11:42:47,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+/struc.xyz' 2026-02-10T11:42:47,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2/struc.xyz' 2026-02-10T11:42:47,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz' 2026-02-10T11:42:47,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4/struc.xyz' 2026-02-10T11:42:47,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me/struc.xyz' 2026-02-10T11:42:47,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c/struc.xyz' 2026-02-10T11:42:47,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4/struc.xyz' 2026-02-10T11:42:47,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch/struc.xyz' 2026-02-10T11:42:47,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8/struc.xyz' 2026-02-10T11:42:47,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n/struc.xyz' 2026-02-10T11:42:47,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h/struc.xyz' 2026-02-10T11:42:47,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me/struc.xyz' 2026-02-10T11:42:47,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2/struc.xyz' 2026-02-10T11:42:47,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+/struc.xyz' 2026-02-10T11:42:47,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2/struc.xyz' 2026-02-10T11:42:47,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2/struc.xyz' 2026-02-10T11:42:47,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8/struc.xyz' 2026-02-10T11:42:47,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be/struc.xyz' 2026-02-10T11:42:47,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef/struc.xyz' 2026-02-10T11:42:47,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo/struc.xyz' 2026-02-10T11:42:47,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca/struc.xyz' 2026-02-10T11:42:47,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao/struc.xyz' 2026-02-10T11:42:47,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f/struc.xyz' 2026-02-10T11:42:47,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h/struc.xyz' 2026-02-10T11:42:47,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf/struc.xyz' 2026-02-10T11:42:47,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k/struc.xyz' 2026-02-10T11:42:47,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf/struc.xyz' 2026-02-10T11:42:47,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li/struc.xyz' 2026-02-10T11:42:47,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif/struc.xyz' 2026-02-10T11:42:47,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio/struc.xyz' 2026-02-10T11:42:48,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg/struc.xyz' 2026-02-10T11:42:48,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo/struc.xyz' 2026-02-10T11:42:48,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs/struc.xyz' 2026-02-10T11:42:48,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na/struc.xyz' 2026-02-10T11:42:48,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao/struc.xyz' 2026-02-10T11:42:48,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o/struc.xyz' 2026-02-10T11:42:48,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s/struc.xyz' 2026-02-10T11:42:48,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab/struc.xyz' 2026-02-10T11:42:48,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac/struc.xyz' 2026-02-10T11:42:48,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag/struc.xyz' 2026-02-10T11:42:48,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai/struc.xyz' 2026-02-10T11:42:48,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak/struc.xyz' 2026-02-10T11:42:48,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak/struc.xyz' 2026-02-10T11:42:48,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz' 2026-02-10T11:42:48,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz' 2026-02-10T11:42:48,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby/struc.xyz' 2026-02-10T11:42:48,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci/struc.xyz' 2026-02-10T11:42:48,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab/struc.xyz' 2026-02-10T11:42:48,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae/struc.xyz' 2026-02-10T11:42:48,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz' 2026-02-10T11:42:48,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah/struc.xyz' 2026-02-10T11:42:48,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz' 2026-02-10T11:42:48,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad/struc.xyz' 2026-02-10T11:42:48,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau/struc.xyz' 2026-02-10T11:42:48,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay/struc.xyz' 2026-02-10T11:42:48,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz' 2026-02-10T11:42:48,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz' 2026-02-10T11:42:48,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag/struc.xyz' 2026-02-10T11:42:48,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah/struc.xyz' 2026-02-10T11:42:48,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai/struc.xyz' 2026-02-10T11:42:48,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal/struc.xyz' 2026-02-10T11:42:48,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao/struc.xyz' 2026-02-10T11:42:48,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai/struc.xyz' 2026-02-10T11:42:48,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal/struc.xyz' 2026-02-10T11:42:48,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan/struc.xyz' 2026-02-10T11:42:48,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap/struc.xyz' 2026-02-10T11:42:48,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat/struc.xyz' 2026-02-10T11:42:48,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad/struc.xyz' 2026-02-10T11:42:48,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal/struc.xyz' 2026-02-10T11:42:48,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar/struc.xyz' 2026-02-10T11:42:48,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav/struc.xyz' 2026-02-10T11:42:48,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz' 2026-02-10T11:42:48,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab/struc.xyz' 2026-02-10T11:42:48,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac/struc.xyz' 2026-02-10T11:42:48,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad/struc.xyz' 2026-02-10T11:42:48,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae/struc.xyz' 2026-02-10T11:42:48,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag/struc.xyz' 2026-02-10T11:42:48,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah/struc.xyz' 2026-02-10T11:42:48,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam/struc.xyz' 2026-02-10T11:42:48,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz' 2026-02-10T11:42:48,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau/struc.xyz' 2026-02-10T11:42:48,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav/struc.xyz' 2026-02-10T11:42:48,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae/struc.xyz' 2026-02-10T11:42:48,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag/struc.xyz' 2026-02-10T11:42:48,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz' 2026-02-10T11:42:48,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak/struc.xyz' 2026-02-10T11:42:48,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz' 2026-02-10T11:42:48,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad/struc.xyz' 2026-02-10T11:42:48,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae/struc.xyz' 2026-02-10T11:42:48,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap/struc.xyz' 2026-02-10T11:42:48,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz' 2026-02-10T11:42:48,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz' 2026-02-10T11:42:48,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan/struc.xyz' 2026-02-10T11:42:48,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao/struc.xyz' 2026-02-10T11:42:48,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap/struc.xyz' 2026-02-10T11:42:48,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas/struc.xyz' 2026-02-10T11:42:48,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat/struc.xyz' 2026-02-10T11:42:48,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag/struc.xyz' 2026-02-10T11:42:48,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav/struc.xyz' 2026-02-10T11:42:48,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf/struc.xyz' 2026-02-10T11:42:48,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm/struc.xyz' 2026-02-10T11:42:48,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo/struc.xyz' 2026-02-10T11:42:48,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab/struc.xyz' 2026-02-10T11:42:48,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal/struc.xyz' 2026-02-10T11:42:48,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan/struc.xyz' 2026-02-10T11:42:48,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar/struc.xyz' 2026-02-10T11:42:48,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz' 2026-02-10T11:42:48,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab/struc.xyz' 2026-02-10T11:42:48,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac/struc.xyz' 2026-02-10T11:42:48,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad/struc.xyz' 2026-02-10T11:42:48,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae/struc.xyz' 2026-02-10T11:42:48,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz' 2026-02-10T11:42:48,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad/struc.xyz' 2026-02-10T11:42:48,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf/struc.xyz' 2026-02-10T11:42:48,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah/struc.xyz' 2026-02-10T11:42:48,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak/struc.xyz' 2026-02-10T11:42:48,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar/struc.xyz' 2026-02-10T11:42:48,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab/struc.xyz' 2026-02-10T11:42:48,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag/struc.xyz' 2026-02-10T11:42:48,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah/struc.xyz' 2026-02-10T11:42:48,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal/struc.xyz' 2026-02-10T11:42:48,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq/struc.xyz' 2026-02-10T11:42:48,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac/struc.xyz' 2026-02-10T11:42:48,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz' 2026-02-10T11:42:48,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag/struc.xyz' 2026-02-10T11:42:48,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah/struc.xyz' 2026-02-10T11:42:48,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao/struc.xyz' 2026-02-10T11:42:48,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab/struc.xyz' 2026-02-10T11:42:48,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag/struc.xyz' 2026-02-10T11:42:48,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah/struc.xyz' 2026-02-10T11:42:48,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan/struc.xyz' 2026-02-10T11:42:48,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar/struc.xyz' 2026-02-10T11:42:48,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad/struc.xyz' 2026-02-10T11:42:48,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz' 2026-02-10T11:42:48,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah/struc.xyz' 2026-02-10T11:42:48,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz' 2026-02-10T11:42:48,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak/struc.xyz' 2026-02-10T11:42:48,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5/struc.xyz' 2026-02-10T11:42:48,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6/struc.xyz' 2026-02-10T11:42:48,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8/struc.xyz' 2026-02-10T11:42:48,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH/struc.xyz' 2026-02-10T11:42:48,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4/struc.xyz' 2026-02-10T11:42:48,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2/struc.xyz' 2026-02-10T11:42:48,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O/struc.xyz' 2026-02-10T11:42:48,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S/struc.xyz' 2026-02-10T11:42:48,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS/struc.xyz' 2026-02-10T11:42:48,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H/struc.xyz' 2026-02-10T11:42:48,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2/struc.xyz' 2026-02-10T11:42:48,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH/struc.xyz' 2026-02-10T11:42:48,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2/struc.xyz' 2026-02-10T11:42:48,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3/struc.xyz' 2026-02-10T11:42:48,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O/struc.xyz' 2026-02-10T11:42:48,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2/struc.xyz' 2026-02-10T11:42:48,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3/struc.xyz' 2026-02-10T11:42:48,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01/struc.xyz' 2026-02-10T11:42:48,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02/struc.xyz' 2026-02-10T11:42:48,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03/struc.xyz' 2026-02-10T11:42:48,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04/struc.xyz' 2026-02-10T11:42:48,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05/struc.xyz' 2026-02-10T11:42:48,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06/struc.xyz' 2026-02-10T11:42:48,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07/struc.xyz' 2026-02-10T11:42:48,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08/struc.xyz' 2026-02-10T11:42:48,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09/struc.xyz' 2026-02-10T11:42:48,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10/struc.xyz' 2026-02-10T11:42:48,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11/struc.xyz' 2026-02-10T11:42:48,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12/struc.xyz' 2026-02-10T11:42:48,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13/struc.xyz' 2026-02-10T11:42:48,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14/struc.xyz' 2026-02-10T11:42:48,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15/struc.xyz' 2026-02-10T11:42:48,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16/struc.xyz' 2026-02-10T11:42:48,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17/struc.xyz' 2026-02-10T11:42:48,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18/struc.xyz' 2026-02-10T11:42:48,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19/struc.xyz' 2026-02-10T11:42:48,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20/struc.xyz' 2026-02-10T11:42:48,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21/struc.xyz' 2026-02-10T11:42:48,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22/struc.xyz' 2026-02-10T11:42:48,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4/struc.xyz' 2026-02-10T11:42:48,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5/struc.xyz' 2026-02-10T11:42:48,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts/struc.xyz' 2026-02-10T11:42:48,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7/struc.xyz' 2026-02-10T11:42:48,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts/struc.xyz' 2026-02-10T11:42:48,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3/struc.xyz' 2026-02-10T11:42:48,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz' 2026-02-10T11:42:48,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f/struc.xyz' 2026-02-10T11:42:48,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts/struc.xyz' 2026-02-10T11:42:48,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh/struc.xyz' 2026-02-10T11:42:48,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl/struc.xyz' 2026-02-10T11:42:48,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-/struc.xyz' 2026-02-10T11:42:48,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp/struc.xyz' 2026-02-10T11:42:48,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts/struc.xyz' 2026-02-10T11:42:48,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf/struc.xyz' 2026-02-10T11:42:48,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co/struc.xyz' 2026-02-10T11:42:48,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f/struc.xyz' 2026-02-10T11:42:48,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-/struc.xyz' 2026-02-10T11:42:48,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2/struc.xyz' 2026-02-10T11:42:48,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1/struc.xyz' 2026-02-10T11:42:48,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2/struc.xyz' 2026-02-10T11:42:48,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts/struc.xyz' 2026-02-10T11:42:48,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp/struc.xyz' 2026-02-10T11:42:48,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts/struc.xyz' 2026-02-10T11:42:48,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h/struc.xyz' 2026-02-10T11:42:48,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts/struc.xyz' 2026-02-10T11:42:48,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl/struc.xyz' 2026-02-10T11:42:48,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts/struc.xyz' 2026-02-10T11:42:48,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn/struc.xyz' 2026-02-10T11:42:48,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts/struc.xyz' 2026-02-10T11:42:48,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco/struc.xyz' 2026-02-10T11:42:48,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots/struc.xyz' 2026-02-10T11:42:48,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf/struc.xyz' 2026-02-10T11:42:48,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts/struc.xyz' 2026-02-10T11:42:48,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts/struc.xyz' 2026-02-10T11:42:48,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts/struc.xyz' 2026-02-10T11:42:48,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2/struc.xyz' 2026-02-10T11:42:48,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts/struc.xyz' 2026-02-10T11:42:48,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc/struc.xyz' 2026-02-10T11:42:48,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1/struc.xyz' 2026-02-10T11:42:48,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2/struc.xyz' 2026-02-10T11:42:48,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts/struc.xyz' 2026-02-10T11:42:48,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2/struc.xyz' 2026-02-10T11:42:48,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o/struc.xyz' 2026-02-10T11:42:48,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts/struc.xyz' 2026-02-10T11:42:48,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh/struc.xyz' 2026-02-10T11:42:48,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-/struc.xyz' 2026-02-10T11:42:48,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5/struc.xyz' 2026-02-10T11:42:48,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6/struc.xyz' 2026-02-10T11:42:48,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8/struc.xyz' 2026-02-10T11:42:48,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH/struc.xyz' 2026-02-10T11:42:48,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4/struc.xyz' 2026-02-10T11:42:48,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2/struc.xyz' 2026-02-10T11:42:48,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O/struc.xyz' 2026-02-10T11:42:48,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S/struc.xyz' 2026-02-10T11:42:48,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS/struc.xyz' 2026-02-10T11:42:48,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H/struc.xyz' 2026-02-10T11:42:48,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2/struc.xyz' 2026-02-10T11:42:48,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH/struc.xyz' 2026-02-10T11:42:48,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2/struc.xyz' 2026-02-10T11:42:48,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3/struc.xyz' 2026-02-10T11:42:48,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O/struc.xyz' 2026-02-10T11:42:48,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2/struc.xyz' 2026-02-10T11:42:48,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3/struc.xyz' 2026-02-10T11:42:48,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01/struc.xyz' 2026-02-10T11:42:48,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02/struc.xyz' 2026-02-10T11:42:48,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03/struc.xyz' 2026-02-10T11:42:48,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04/struc.xyz' 2026-02-10T11:42:48,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05/struc.xyz' 2026-02-10T11:42:48,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06/struc.xyz' 2026-02-10T11:42:48,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07/struc.xyz' 2026-02-10T11:42:48,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08/struc.xyz' 2026-02-10T11:42:48,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09/struc.xyz' 2026-02-10T11:42:48,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10/struc.xyz' 2026-02-10T11:42:48,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11/struc.xyz' 2026-02-10T11:42:48,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12/struc.xyz' 2026-02-10T11:42:48,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13/struc.xyz' 2026-02-10T11:42:48,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14/struc.xyz' 2026-02-10T11:42:48,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15/struc.xyz' 2026-02-10T11:42:48,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16/struc.xyz' 2026-02-10T11:42:48,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17/struc.xyz' 2026-02-10T11:42:48,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18/struc.xyz' 2026-02-10T11:42:48,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19/struc.xyz' 2026-02-10T11:42:48,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20/struc.xyz' 2026-02-10T11:42:48,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21/struc.xyz' 2026-02-10T11:42:48,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22/struc.xyz' 2026-02-10T11:42:48,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4/struc.xyz' 2026-02-10T11:42:48,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5/struc.xyz' 2026-02-10T11:42:48,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts/struc.xyz' 2026-02-10T11:42:48,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7/struc.xyz' 2026-02-10T11:42:48,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts/struc.xyz' 2026-02-10T11:42:48,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3/struc.xyz' 2026-02-10T11:42:48,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl/struc.xyz' 2026-02-10T11:42:48,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f/struc.xyz' 2026-02-10T11:42:48,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts/struc.xyz' 2026-02-10T11:42:48,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh/struc.xyz' 2026-02-10T11:42:48,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl/struc.xyz' 2026-02-10T11:42:48,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-/struc.xyz' 2026-02-10T11:42:48,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp/struc.xyz' 2026-02-10T11:42:48,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts/struc.xyz' 2026-02-10T11:42:48,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf/struc.xyz' 2026-02-10T11:42:48,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co/struc.xyz' 2026-02-10T11:42:48,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f/struc.xyz' 2026-02-10T11:42:48,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-/struc.xyz' 2026-02-10T11:42:48,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2/struc.xyz' 2026-02-10T11:42:48,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz' 2026-02-10T11:42:48,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz' 2026-02-10T11:42:48,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts/struc.xyz' 2026-02-10T11:42:48,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp/struc.xyz' 2026-02-10T11:42:48,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts/struc.xyz' 2026-02-10T11:42:48,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h/struc.xyz' 2026-02-10T11:42:48,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts/struc.xyz' 2026-02-10T11:42:48,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl/struc.xyz' 2026-02-10T11:42:48,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts/struc.xyz' 2026-02-10T11:42:48,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn/struc.xyz' 2026-02-10T11:42:48,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts/struc.xyz' 2026-02-10T11:42:48,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco/struc.xyz' 2026-02-10T11:42:48,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots/struc.xyz' 2026-02-10T11:42:48,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf/struc.xyz' 2026-02-10T11:42:48,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts/struc.xyz' 2026-02-10T11:42:48,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts/struc.xyz' 2026-02-10T11:42:48,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts/struc.xyz' 2026-02-10T11:42:48,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2/struc.xyz' 2026-02-10T11:42:48,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts/struc.xyz' 2026-02-10T11:42:48,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc/struc.xyz' 2026-02-10T11:42:48,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz' 2026-02-10T11:42:48,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz' 2026-02-10T11:42:48,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts/struc.xyz' 2026-02-10T11:42:48,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2/struc.xyz' 2026-02-10T11:42:48,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o/struc.xyz' 2026-02-10T11:42:48,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts/struc.xyz' 2026-02-10T11:42:48,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh/struc.xyz' 2026-02-10T11:42:48,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-/struc.xyz' 2026-02-10T11:42:48,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1/struc.xyz' 2026-02-10T11:42:48,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10/struc.xyz' 2026-02-10T11:42:48,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2/struc.xyz' 2026-02-10T11:42:48,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3/struc.xyz' 2026-02-10T11:42:48,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4/struc.xyz' 2026-02-10T11:42:48,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5/struc.xyz' 2026-02-10T11:42:48,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6/struc.xyz' 2026-02-10T11:42:48,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7/struc.xyz' 2026-02-10T11:42:48,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8/struc.xyz' 2026-02-10T11:42:48,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9/struc.xyz' 2026-02-10T11:42:48,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1/struc.xyz' 2026-02-10T11:42:48,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10/struc.xyz' 2026-02-10T11:42:48,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2/struc.xyz' 2026-02-10T11:42:48,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3/struc.xyz' 2026-02-10T11:42:48,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4/struc.xyz' 2026-02-10T11:42:48,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5/struc.xyz' 2026-02-10T11:42:48,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6/struc.xyz' 2026-02-10T11:42:48,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7/struc.xyz' 2026-02-10T11:42:48,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8/struc.xyz' 2026-02-10T11:42:48,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9/struc.xyz' 2026-02-10T11:42:48,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r/struc.xyz' 2026-02-10T11:42:48,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r/struc.xyz' 2026-02-10T11:42:48,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts/struc.xyz' 2026-02-10T11:42:48,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r/struc.xyz' 2026-02-10T11:42:48,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts/struc.xyz' 2026-02-10T11:42:48,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r/struc.xyz' 2026-02-10T11:42:48,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts/struc.xyz' 2026-02-10T11:42:48,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r/struc.xyz' 2026-02-10T11:42:48,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts/struc.xyz' 2026-02-10T11:42:48,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r/struc.xyz' 2026-02-10T11:42:48,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts/struc.xyz' 2026-02-10T11:42:48,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts/struc.xyz' 2026-02-10T11:42:48,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r/struc.xyz' 2026-02-10T11:42:48,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts/struc.xyz' 2026-02-10T11:42:48,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts/struc.xyz' 2026-02-10T11:42:48,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r/struc.xyz' 2026-02-10T11:42:48,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts/struc.xyz' 2026-02-10T11:42:48,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz' 2026-02-10T11:42:48,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz' 2026-02-10T11:42:48,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz' 2026-02-10T11:42:48,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz' 2026-02-10T11:42:48,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz' 2026-02-10T11:42:48,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4/struc.xyz' 2026-02-10T11:42:48,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1/struc.xyz' 2026-02-10T11:42:48,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2/struc.xyz' 2026-02-10T11:42:48,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3/struc.xyz' 2026-02-10T11:42:48,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4/struc.xyz' 2026-02-10T11:42:48,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5/struc.xyz' 2026-02-10T11:42:48,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6/struc.xyz' 2026-02-10T11:42:48,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7/struc.xyz' 2026-02-10T11:42:48,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8/struc.xyz' 2026-02-10T11:42:48,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9/struc.xyz' 2026-02-10T11:42:48,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a/struc.xyz' 2026-02-10T11:42:48,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a/struc.xyz' 2026-02-10T11:42:48,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a/struc.xyz' 2026-02-10T11:42:48,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a/struc.xyz' 2026-02-10T11:42:48,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a/struc.xyz' 2026-02-10T11:42:48,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a/struc.xyz' 2026-02-10T11:42:48,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a/struc.xyz' 2026-02-10T11:42:48,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a/struc.xyz' 2026-02-10T11:42:48,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a/struc.xyz' 2026-02-10T11:42:48,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz' 2026-02-10T11:42:48,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz' 2026-02-10T11:42:48,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene/struc.xyz' 2026-02-10T11:42:48,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene/struc.xyz' 2026-02-10T11:42:48,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz' 2026-02-10T11:42:48,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene/struc.xyz' 2026-02-10T11:42:48,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene/struc.xyz' 2026-02-10T11:42:48,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1/struc.xyz' 2026-02-10T11:42:48,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10/struc.xyz' 2026-02-10T11:42:48,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11/struc.xyz' 2026-02-10T11:42:48,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2/struc.xyz' 2026-02-10T11:42:48,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3/struc.xyz' 2026-02-10T11:42:48,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4/struc.xyz' 2026-02-10T11:42:48,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5/struc.xyz' 2026-02-10T11:42:48,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6/struc.xyz' 2026-02-10T11:42:48,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7/struc.xyz' 2026-02-10T11:42:48,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8/struc.xyz' 2026-02-10T11:42:48,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9/struc.xyz' 2026-02-10T11:42:48,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz' 2026-02-10T11:42:48,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz' 2026-02-10T11:42:48,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC/struc.xyz' 2026-02-10T11:42:48,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz' 2026-02-10T11:42:48,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz' 2026-02-10T11:42:48,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS/struc.xyz' 2026-02-10T11:42:48,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti/struc.xyz' 2026-02-10T11:42:48,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn/struc.xyz' 2026-02-10T11:42:48,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl/struc.xyz' 2026-02-10T11:42:48,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz' 2026-02-10T11:42:48,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz' 2026-02-10T11:42:48,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz' 2026-02-10T11:42:48,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz' 2026-02-10T11:42:48,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS/struc.xyz' 2026-02-10T11:42:48,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis/struc.xyz' 2026-02-10T11:42:48,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans/struc.xyz' 2026-02-10T11:42:48,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl/struc.xyz' 2026-02-10T11:42:48,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st/struc.xyz' 2026-02-10T11:42:48,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz' 2026-02-10T11:42:48,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz' 2026-02-10T11:42:48,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz' 2026-02-10T11:42:48,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz' 2026-02-10T11:42:48,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2/struc.xyz' 2026-02-10T11:42:48,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis/struc.xyz' 2026-02-10T11:42:48,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans/struc.xyz' 2026-02-10T11:42:48,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2/struc.xyz' 2026-02-10T11:42:48,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis/struc.xyz' 2026-02-10T11:42:48,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans/struc.xyz' 2026-02-10T11:42:48,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl/struc.xyz' 2026-02-10T11:42:48,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st/struc.xyz' 2026-02-10T11:42:48,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz' 2026-02-10T11:42:48,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st/struc.xyz' 2026-02-10T11:42:48,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz' 2026-02-10T11:42:48,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz' 2026-02-10T11:42:48,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1/struc.xyz' 2026-02-10T11:42:48,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz' 2026-02-10T11:42:48,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz' 2026-02-10T11:42:48,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz' 2026-02-10T11:42:48,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0/struc.xyz' 2026-02-10T11:42:48,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120/struc.xyz' 2026-02-10T11:42:48,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180/struc.xyz' 2026-02-10T11:42:48,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60/struc.xyz' 2026-02-10T11:42:48,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1/struc.xyz' 2026-02-10T11:42:48,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2/struc.xyz' 2026-02-10T11:42:48,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6/struc.xyz' 2026-02-10T11:42:48,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3/struc.xyz' 2026-02-10T11:42:48,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4/struc.xyz' 2026-02-10T11:42:48,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5/struc.xyz' 2026-02-10T11:42:48,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4/struc.xyz' 2026-02-10T11:42:48,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1/struc.xyz' 2026-02-10T11:42:48,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10/struc.xyz' 2026-02-10T11:42:48,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11/struc.xyz' 2026-02-10T11:42:48,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12/struc.xyz' 2026-02-10T11:42:48,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13/struc.xyz' 2026-02-10T11:42:48,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14/struc.xyz' 2026-02-10T11:42:48,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15/struc.xyz' 2026-02-10T11:42:48,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2/struc.xyz' 2026-02-10T11:42:48,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3/struc.xyz' 2026-02-10T11:42:48,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4/struc.xyz' 2026-02-10T11:42:48,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5/struc.xyz' 2026-02-10T11:42:48,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6/struc.xyz' 2026-02-10T11:42:48,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7/struc.xyz' 2026-02-10T11:42:48,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8/struc.xyz' 2026-02-10T11:42:48,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9/struc.xyz' 2026-02-10T11:42:48,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1/struc.xyz' 2026-02-10T11:42:48,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10/struc.xyz' 2026-02-10T11:42:48,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11/struc.xyz' 2026-02-10T11:42:48,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12/struc.xyz' 2026-02-10T11:42:48,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13/struc.xyz' 2026-02-10T11:42:48,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14/struc.xyz' 2026-02-10T11:42:48,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15/struc.xyz' 2026-02-10T11:42:48,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16/struc.xyz' 2026-02-10T11:42:48,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2/struc.xyz' 2026-02-10T11:42:48,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3/struc.xyz' 2026-02-10T11:42:48,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4/struc.xyz' 2026-02-10T11:42:48,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5/struc.xyz' 2026-02-10T11:42:48,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6/struc.xyz' 2026-02-10T11:42:48,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7/struc.xyz' 2026-02-10T11:42:48,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8/struc.xyz' 2026-02-10T11:42:48,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9/struc.xyz' 2026-02-10T11:42:48,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1/struc.xyz' 2026-02-10T11:42:48,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10/struc.xyz' 2026-02-10T11:42:48,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11/struc.xyz' 2026-02-10T11:42:48,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12/struc.xyz' 2026-02-10T11:42:48,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13/struc.xyz' 2026-02-10T11:42:48,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14/struc.xyz' 2026-02-10T11:42:48,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15/struc.xyz' 2026-02-10T11:42:48,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16/struc.xyz' 2026-02-10T11:42:48,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17/struc.xyz' 2026-02-10T11:42:48,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18/struc.xyz' 2026-02-10T11:42:48,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19/struc.xyz' 2026-02-10T11:42:48,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2/struc.xyz' 2026-02-10T11:42:48,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20/struc.xyz' 2026-02-10T11:42:48,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21/struc.xyz' 2026-02-10T11:42:48,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22/struc.xyz' 2026-02-10T11:42:48,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23/struc.xyz' 2026-02-10T11:42:48,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24/struc.xyz' 2026-02-10T11:42:48,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25/struc.xyz' 2026-02-10T11:42:48,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26/struc.xyz' 2026-02-10T11:42:48,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27/struc.xyz' 2026-02-10T11:42:48,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28/struc.xyz' 2026-02-10T11:42:48,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29/struc.xyz' 2026-02-10T11:42:48,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3/struc.xyz' 2026-02-10T11:42:48,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30/struc.xyz' 2026-02-10T11:42:48,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31/struc.xyz' 2026-02-10T11:42:48,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32/struc.xyz' 2026-02-10T11:42:48,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33/struc.xyz' 2026-02-10T11:42:48,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34/struc.xyz' 2026-02-10T11:42:48,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35/struc.xyz' 2026-02-10T11:42:48,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36/struc.xyz' 2026-02-10T11:42:48,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37/struc.xyz' 2026-02-10T11:42:48,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38/struc.xyz' 2026-02-10T11:42:48,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39/struc.xyz' 2026-02-10T11:42:48,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4/struc.xyz' 2026-02-10T11:42:48,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40/struc.xyz' 2026-02-10T11:42:48,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41/struc.xyz' 2026-02-10T11:42:48,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42/struc.xyz' 2026-02-10T11:42:48,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43/struc.xyz' 2026-02-10T11:42:48,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44/struc.xyz' 2026-02-10T11:42:48,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45/struc.xyz' 2026-02-10T11:42:48,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46/struc.xyz' 2026-02-10T11:42:48,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47/struc.xyz' 2026-02-10T11:42:48,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48/struc.xyz' 2026-02-10T11:42:48,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49/struc.xyz' 2026-02-10T11:42:48,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5/struc.xyz' 2026-02-10T11:42:48,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50/struc.xyz' 2026-02-10T11:42:48,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51/struc.xyz' 2026-02-10T11:42:48,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52/struc.xyz' 2026-02-10T11:42:48,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53/struc.xyz' 2026-02-10T11:42:48,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54/struc.xyz' 2026-02-10T11:42:48,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55/struc.xyz' 2026-02-10T11:42:48,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56/struc.xyz' 2026-02-10T11:42:48,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57/struc.xyz' 2026-02-10T11:42:48,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58/struc.xyz' 2026-02-10T11:42:48,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59/struc.xyz' 2026-02-10T11:42:48,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6/struc.xyz' 2026-02-10T11:42:48,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60/struc.xyz' 2026-02-10T11:42:48,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61/struc.xyz' 2026-02-10T11:42:48,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62/struc.xyz' 2026-02-10T11:42:48,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63/struc.xyz' 2026-02-10T11:42:48,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64/struc.xyz' 2026-02-10T11:42:48,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65/struc.xyz' 2026-02-10T11:42:48,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7/struc.xyz' 2026-02-10T11:42:48,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8/struc.xyz' 2026-02-10T11:42:48,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9/struc.xyz' 2026-02-10T11:42:48,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1/struc.xyz' 2026-02-10T11:42:48,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10/struc.xyz' 2026-02-10T11:42:48,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2/struc.xyz' 2026-02-10T11:42:48,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3/struc.xyz' 2026-02-10T11:42:48,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4/struc.xyz' 2026-02-10T11:42:48,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5/struc.xyz' 2026-02-10T11:42:48,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6/struc.xyz' 2026-02-10T11:42:48,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7/struc.xyz' 2026-02-10T11:42:48,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8/struc.xyz' 2026-02-10T11:42:48,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9/struc.xyz' 2026-02-10T11:42:48,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL/struc.xyz' 2026-02-10T11:42:48,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A/struc.xyz' 2026-02-10T11:42:48,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B/struc.xyz' 2026-02-10T11:42:48,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N/struc.xyz' 2026-02-10T11:42:48,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A/struc.xyz' 2026-02-10T11:42:48,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B/struc.xyz' 2026-02-10T11:42:48,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O/struc.xyz' 2026-02-10T11:42:48,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A/struc.xyz' 2026-02-10T11:42:48,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B/struc.xyz' 2026-02-10T11:42:48,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL/struc.xyz' 2026-02-10T11:42:48,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A/struc.xyz' 2026-02-10T11:42:48,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B/struc.xyz' 2026-02-10T11:42:48,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N/struc.xyz' 2026-02-10T11:42:48,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A/struc.xyz' 2026-02-10T11:42:48,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B/struc.xyz' 2026-02-10T11:42:48,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O/struc.xyz' 2026-02-10T11:42:48,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A/struc.xyz' 2026-02-10T11:42:48,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B/struc.xyz' 2026-02-10T11:42:48,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL/struc.xyz' 2026-02-10T11:42:48,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A/struc.xyz' 2026-02-10T11:42:48,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B/struc.xyz' 2026-02-10T11:42:48,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N/struc.xyz' 2026-02-10T11:42:48,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A/struc.xyz' 2026-02-10T11:42:48,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B/struc.xyz' 2026-02-10T11:42:48,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O/struc.xyz' 2026-02-10T11:42:48,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A/struc.xyz' 2026-02-10T11:42:48,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz' 2026-02-10T11:42:48,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL/struc.xyz' 2026-02-10T11:42:48,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A/struc.xyz' 2026-02-10T11:42:48,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B/struc.xyz' 2026-02-10T11:42:48,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N/struc.xyz' 2026-02-10T11:42:48,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A/struc.xyz' 2026-02-10T11:42:48,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B/struc.xyz' 2026-02-10T11:42:48,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O/struc.xyz' 2026-02-10T11:42:48,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A/struc.xyz' 2026-02-10T11:42:48,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B/struc.xyz' 2026-02-10T11:42:48,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20/struc.xyz' 2026-02-10T11:42:48,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22/struc.xyz' 2026-02-10T11:42:48,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25/struc.xyz' 2026-02-10T11:42:48,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26/struc.xyz' 2026-02-10T11:42:48,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40/struc.xyz' 2026-02-10T11:42:48,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43/struc.xyz' 2026-02-10T11:42:48,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44/struc.xyz' 2026-02-10T11:42:48,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45/struc.xyz' 2026-02-10T11:42:48,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46/struc.xyz' 2026-02-10T11:42:48,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47/struc.xyz' 2026-02-10T11:42:48,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48/struc.xyz' 2026-02-10T11:42:48,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49/struc.xyz' 2026-02-10T11:42:48,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51/struc.xyz' 2026-02-10T11:42:48,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52/struc.xyz' 2026-02-10T11:42:48,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56/struc.xyz' 2026-02-10T11:42:48,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60/struc.xyz' 2026-02-10T11:42:48,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20/struc.xyz' 2026-02-10T11:42:48,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21/struc.xyz' 2026-02-10T11:42:48,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22/struc.xyz' 2026-02-10T11:42:48,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25/struc.xyz' 2026-02-10T11:42:48,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26/struc.xyz' 2026-02-10T11:42:48,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28/struc.xyz' 2026-02-10T11:42:48,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29/struc.xyz' 2026-02-10T11:42:48,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40/struc.xyz' 2026-02-10T11:42:48,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43/struc.xyz' 2026-02-10T11:42:48,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44/struc.xyz' 2026-02-10T11:42:48,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45/struc.xyz' 2026-02-10T11:42:48,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46/struc.xyz' 2026-02-10T11:42:48,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47/struc.xyz' 2026-02-10T11:42:48,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48/struc.xyz' 2026-02-10T11:42:48,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49/struc.xyz' 2026-02-10T11:42:48,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51/struc.xyz' 2026-02-10T11:42:48,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52/struc.xyz' 2026-02-10T11:42:48,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56/struc.xyz' 2026-02-10T11:42:48,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57/struc.xyz' 2026-02-10T11:42:48,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60/struc.xyz' 2026-02-10T11:42:48,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22/struc.xyz' 2026-02-10T11:42:48,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A/struc.xyz' 2026-02-10T11:42:48,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B/struc.xyz' 2026-02-10T11:42:48,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23/struc.xyz' 2026-02-10T11:42:48,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A/struc.xyz' 2026-02-10T11:42:48,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B/struc.xyz' 2026-02-10T11:42:48,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24/struc.xyz' 2026-02-10T11:42:48,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A/struc.xyz' 2026-02-10T11:42:48,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B/struc.xyz' 2026-02-10T11:42:49,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25/struc.xyz' 2026-02-10T11:42:49,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A/struc.xyz' 2026-02-10T11:42:49,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B/struc.xyz' 2026-02-10T11:42:49,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26/struc.xyz' 2026-02-10T11:42:49,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A/struc.xyz' 2026-02-10T11:42:49,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B/struc.xyz' 2026-02-10T11:42:49,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27/struc.xyz' 2026-02-10T11:42:49,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A/struc.xyz' 2026-02-10T11:42:49,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B/struc.xyz' 2026-02-10T11:42:49,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1/struc.xyz' 2026-02-10T11:42:49,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10/struc.xyz' 2026-02-10T11:42:49,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X/struc.xyz' 2026-02-10T11:42:49,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2/struc.xyz' 2026-02-10T11:42:49,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz' 2026-02-10T11:42:49,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4/struc.xyz' 2026-02-10T11:42:49,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5/struc.xyz' 2026-02-10T11:42:49,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6/struc.xyz' 2026-02-10T11:42:49,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7/struc.xyz' 2026-02-10T11:42:49,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X/struc.xyz' 2026-02-10T11:42:49,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8/struc.xyz' 2026-02-10T11:42:49,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X/struc.xyz' 2026-02-10T11:42:49,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9/struc.xyz' 2026-02-10T11:42:49,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X/struc.xyz' 2026-02-10T11:42:49,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene/struc.xyz' 2026-02-10T11:42:49,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene/struc.xyz' 2026-02-10T11:42:49,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene/struc.xyz' 2026-02-10T11:42:49,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene/struc.xyz' 2026-02-10T11:42:49,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine/struc.xyz' 2026-02-10T11:42:49,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane/struc.xyz' 2026-02-10T11:42:49,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein/struc.xyz' 2026-02-10T11:42:49,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH/struc.xyz' 2026-02-10T11:42:49,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip/struc.xyz' 2026-02-10T11:42:49,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6/struc.xyz' 2026-02-10T11:42:49,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6/struc.xyz' 2026-02-10T11:42:49,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2/struc.xyz' 2026-02-10T11:42:49,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL/struc.xyz' 2026-02-10T11:42:49,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz' 2026-02-10T11:42:49,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz' 2026-02-10T11:42:49,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35/struc.xyz' 2026-02-10T11:42:49,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36/struc.xyz' 2026-02-10T11:42:49,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35/struc.xyz' 2026-02-10T11:42:49,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36/struc.xyz' 2026-02-10T11:42:49,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be/struc.xyz' 2026-02-10T11:42:49,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4/struc.xyz' 2026-02-10T11:42:49,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl/struc.xyz' 2026-02-10T11:42:49,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage/struc.xyz' 2026-02-10T11:42:49,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2/struc.xyz' 2026-02-10T11:42:49,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4/struc.xyz' 2026-02-10T11:42:49,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1/struc.xyz' 2026-02-10T11:42:49,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2/struc.xyz' 2026-02-10T11:42:49,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2/struc.xyz' 2026-02-10T11:42:49,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen/struc.xyz' 2026-02-10T11:42:49,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene/struc.xyz' 2026-02-10T11:42:49,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne/struc.xyz' 2026-02-10T11:42:49,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3/struc.xyz' 2026-02-10T11:42:49,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add/struc.xyz' 2026-02-10T11:42:49,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add/struc.xyz' 2026-02-10T11:42:49,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb/struc.xyz' 2026-02-10T11:42:49,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2/struc.xyz' 2026-02-10T11:42:49,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8/struc.xyz' 2026-02-10T11:42:49,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen/struc.xyz' 2026-02-10T11:42:49,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be/struc.xyz' 2026-02-10T11:42:49,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+/struc.xyz' 2026-02-10T11:42:49,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4/struc.xyz' 2026-02-10T11:42:49,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz' 2026-02-10T11:42:49,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6/struc.xyz' 2026-02-10T11:42:49,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz' 2026-02-10T11:42:49,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4/struc.xyz' 2026-02-10T11:42:49,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz' 2026-02-10T11:42:49,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o/struc.xyz' 2026-02-10T11:42:49,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz' 2026-02-10T11:42:49,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s/struc.xyz' 2026-02-10T11:42:49,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+/struc.xyz' 2026-02-10T11:42:49,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg/struc.xyz' 2026-02-10T11:42:49,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+/struc.xyz' 2026-02-10T11:42:49,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2/struc.xyz' 2026-02-10T11:42:49,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz' 2026-02-10T11:42:49,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3/struc.xyz' 2026-02-10T11:42:49,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+/struc.xyz' 2026-02-10T11:42:49,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3/struc.xyz' 2026-02-10T11:42:49,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+/struc.xyz' 2026-02-10T11:42:49,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene/struc.xyz' 2026-02-10T11:42:49,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene/struc.xyz' 2026-02-10T11:42:49,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne/struc.xyz' 2026-02-10T11:42:49,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne/struc.xyz' 2026-02-10T11:42:49,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene/struc.xyz' 2026-02-10T11:42:49,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane/struc.xyz' 2026-02-10T11:42:49,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2/struc.xyz' 2026-02-10T11:42:49,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz' 2026-02-10T11:42:49,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz' 2026-02-10T11:42:49,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz' 2026-02-10T11:42:49,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H/struc.xyz' 2026-02-10T11:42:49,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2/struc.xyz' 2026-02-10T11:42:49,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2/struc.xyz' 2026-02-10T11:42:49,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO/struc.xyz' 2026-02-10T11:42:49,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN/struc.xyz' 2026-02-10T11:42:49,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz' 2026-02-10T11:42:49,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H/struc.xyz' 2026-02-10T11:42:49,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2/struc.xyz' 2026-02-10T11:42:49,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO/struc.xyz' 2026-02-10T11:42:49,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2/struc.xyz' 2026-02-10T11:42:49,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH/struc.xyz' 2026-02-10T11:42:49,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2/struc.xyz' 2026-02-10T11:42:49,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO/struc.xyz' 2026-02-10T11:42:49,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H/struc.xyz' 2026-02-10T11:42:49,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO/struc.xyz' 2026-02-10T11:42:49,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2/struc.xyz' 2026-02-10T11:42:49,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz' 2026-02-10T11:42:49,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2/struc.xyz' 2026-02-10T11:42:49,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO/struc.xyz' 2026-02-10T11:42:49,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H/struc.xyz' 2026-02-10T11:42:49,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H/struc.xyz' 2026-02-10T11:42:49,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O/struc.xyz' 2026-02-10T11:42:49,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO/struc.xyz' 2026-02-10T11:42:49,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2/struc.xyz' 2026-02-10T11:42:49,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2/struc.xyz' 2026-02-10T11:42:49,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz' 2026-02-10T11:42:49,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2/struc.xyz' 2026-02-10T11:42:49,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2/struc.xyz' 2026-02-10T11:42:49,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz' 2026-02-10T11:42:49,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO/struc.xyz' 2026-02-10T11:42:49,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O/struc.xyz' 2026-02-10T11:42:49,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2/struc.xyz' 2026-02-10T11:42:49,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S/struc.xyz' 2026-02-10T11:42:49,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN/struc.xyz' 2026-02-10T11:42:49,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11/struc.xyz' 2026-02-10T11:42:49,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz' 2026-02-10T11:42:49,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl/struc.xyz' 2026-02-10T11:42:49,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene/struc.xyz' 2026-02-10T11:42:49,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3/struc.xyz' 2026-02-10T11:42:49,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2/struc.xyz' 2026-02-10T11:42:49,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2/struc.xyz' 2026-02-10T11:42:49,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz' 2026-02-10T11:42:49,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol/struc.xyz' 2026-02-10T11:42:49,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene/struc.xyz' 2026-02-10T11:42:49,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine/struc.xyz' 2026-02-10T11:42:49,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane/struc.xyz' 2026-02-10T11:42:49,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane/struc.xyz' 2026-02-10T11:42:49,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane/struc.xyz' 2026-02-10T11:42:49,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole/struc.xyz' 2026-02-10T11:42:49,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz' 2026-02-10T11:42:49,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene/struc.xyz' 2026-02-10T11:42:49,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz' 2026-02-10T11:42:49,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne/struc.xyz' 2026-02-10T11:42:49,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione/struc.xyz' 2026-02-10T11:42:49,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne/struc.xyz' 2026-02-10T11:42:49,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol/struc.xyz' 2026-02-10T11:42:49,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz' 2026-02-10T11:42:49,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz' 2026-02-10T11:42:49,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz' 2026-02-10T11:42:49,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane/struc.xyz' 2026-02-10T11:42:49,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran/struc.xyz' 2026-02-10T11:42:49,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole/struc.xyz' 2026-02-10T11:42:49,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole/struc.xyz' 2026-02-10T11:42:49,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine/struc.xyz' 2026-02-10T11:42:49,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole/struc.xyz' 2026-02-10T11:42:49,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane/struc.xyz' 2026-02-10T11:42:49,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane/struc.xyz' 2026-02-10T11:42:49,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane/struc.xyz' 2026-02-10T11:42:49,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene/struc.xyz' 2026-02-10T11:42:49,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol/struc.xyz' 2026-02-10T11:42:49,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol/struc.xyz' 2026-02-10T11:42:49,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran/struc.xyz' 2026-02-10T11:42:49,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane/struc.xyz' 2026-02-10T11:42:49,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene/struc.xyz' 2026-02-10T11:42:49,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane/struc.xyz' 2026-02-10T11:42:49,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene/struc.xyz' 2026-02-10T11:42:49,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene/struc.xyz' 2026-02-10T11:42:49,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10/struc.xyz' 2026-02-10T11:42:49,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n/struc.xyz' 2026-02-10T11:42:49,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11/struc.xyz' 2026-02-10T11:42:49,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n/struc.xyz' 2026-02-10T11:42:49,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12/struc.xyz' 2026-02-10T11:42:49,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n/struc.xyz' 2026-02-10T11:42:49,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13/struc.xyz' 2026-02-10T11:42:49,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n/struc.xyz' 2026-02-10T11:42:49,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14/struc.xyz' 2026-02-10T11:42:49,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n/struc.xyz' 2026-02-10T11:42:49,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15/struc.xyz' 2026-02-10T11:42:49,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n/struc.xyz' 2026-02-10T11:42:49,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16/struc.xyz' 2026-02-10T11:42:49,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n/struc.xyz' 2026-02-10T11:42:49,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17/struc.xyz' 2026-02-10T11:42:49,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n/struc.xyz' 2026-02-10T11:42:49,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18/struc.xyz' 2026-02-10T11:42:49,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n/struc.xyz' 2026-02-10T11:42:49,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19/struc.xyz' 2026-02-10T11:42:49,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n/struc.xyz' 2026-02-10T11:42:49,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20/struc.xyz' 2026-02-10T11:42:49,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n/struc.xyz' 2026-02-10T11:42:49,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21/struc.xyz' 2026-02-10T11:42:49,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n/struc.xyz' 2026-02-10T11:42:49,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22/struc.xyz' 2026-02-10T11:42:49,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n/struc.xyz' 2026-02-10T11:42:49,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23/struc.xyz' 2026-02-10T11:42:49,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n/struc.xyz' 2026-02-10T11:42:49,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24/struc.xyz' 2026-02-10T11:42:49,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n/struc.xyz' 2026-02-10T11:42:49,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25/struc.xyz' 2026-02-10T11:42:49,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n/struc.xyz' 2026-02-10T11:42:49,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8/struc.xyz' 2026-02-10T11:42:49,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n/struc.xyz' 2026-02-10T11:42:49,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9/struc.xyz' 2026-02-10T11:42:49,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n/struc.xyz' 2026-02-10T11:42:49,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c/struc.xyz' 2026-02-10T11:42:49,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-/struc.xyz' 2026-02-10T11:42:49,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl/struc.xyz' 2026-02-10T11:42:49,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-/struc.xyz' 2026-02-10T11:42:49,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f/struc.xyz' 2026-02-10T11:42:49,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-/struc.xyz' 2026-02-10T11:42:49,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o/struc.xyz' 2026-02-10T11:42:49,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-/struc.xyz' 2026-02-10T11:42:49,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p/struc.xyz' 2026-02-10T11:42:49,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-/struc.xyz' 2026-02-10T11:42:49,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s/struc.xyz' 2026-02-10T11:42:49,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-/struc.xyz' 2026-02-10T11:42:49,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si/struc.xyz' 2026-02-10T11:42:49,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-/struc.xyz' 2026-02-10T11:42:49,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11/struc.xyz' 2026-02-10T11:42:49,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12/struc.xyz' 2026-02-10T11:42:49,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13/struc.xyz' 2026-02-10T11:42:49,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137/struc.xyz' 2026-02-10T11:42:49,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14/struc.xyz' 2026-02-10T11:42:49,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18/struc.xyz' 2026-02-10T11:42:49,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19/struc.xyz' 2026-02-10T11:42:49,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20/struc.xyz' 2026-02-10T11:42:49,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22/struc.xyz' 2026-02-10T11:42:49,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25/struc.xyz' 2026-02-10T11:42:49,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26/struc.xyz' 2026-02-10T11:42:49,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30/struc.xyz' 2026-02-10T11:42:49,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34/struc.xyz' 2026-02-10T11:42:49,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37/struc.xyz' 2026-02-10T11:42:49,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43/struc.xyz' 2026-02-10T11:42:49,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44/struc.xyz' 2026-02-10T11:42:49,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45/struc.xyz' 2026-02-10T11:42:49,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48/struc.xyz' 2026-02-10T11:42:49,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51/struc.xyz' 2026-02-10T11:42:49,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8/struc.xyz' 2026-02-10T11:42:49,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59/struc.xyz' 2026-02-10T11:42:49,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60/struc.xyz' 2026-02-10T11:42:49,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61/struc.xyz' 2026-02-10T11:42:49,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62/struc.xyz' 2026-02-10T11:42:49,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63/struc.xyz' 2026-02-10T11:42:49,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64/struc.xyz' 2026-02-10T11:42:49,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65/struc.xyz' 2026-02-10T11:42:49,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66/struc.xyz' 2026-02-10T11:42:49,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67/struc.xyz' 2026-02-10T11:42:49,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68/struc.xyz' 2026-02-10T11:42:49,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70/struc.xyz' 2026-02-10T11:42:49,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71/struc.xyz' 2026-02-10T11:42:49,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72/struc.xyz' 2026-02-10T11:42:49,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73/struc.xyz' 2026-02-10T11:42:49,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74/struc.xyz' 2026-02-10T11:42:49,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75/struc.xyz' 2026-02-10T11:42:49,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76/struc.xyz' 2026-02-10T11:42:49,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77/struc.xyz' 2026-02-10T11:42:49,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78/struc.xyz' 2026-02-10T11:42:49,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79/struc.xyz' 2026-02-10T11:42:49,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80/struc.xyz' 2026-02-10T11:42:49,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65/struc.xyz' 2026-02-10T11:42:49,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al/struc.xyz' 2026-02-10T11:42:49,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+/struc.xyz' 2026-02-10T11:42:49,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b/struc.xyz' 2026-02-10T11:42:49,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+/struc.xyz' 2026-02-10T11:42:49,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be/struc.xyz' 2026-02-10T11:42:49,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+/struc.xyz' 2026-02-10T11:42:49,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c/struc.xyz' 2026-02-10T11:42:49,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+/struc.xyz' 2026-02-10T11:42:49,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl/struc.xyz' 2026-02-10T11:42:49,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+/struc.xyz' 2026-02-10T11:42:49,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f/struc.xyz' 2026-02-10T11:42:49,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+/struc.xyz' 2026-02-10T11:42:49,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h/struc.xyz' 2026-02-10T11:42:49,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li/struc.xyz' 2026-02-10T11:42:49,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+/struc.xyz' 2026-02-10T11:42:49,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg/struc.xyz' 2026-02-10T11:42:49,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+/struc.xyz' 2026-02-10T11:42:49,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n/struc.xyz' 2026-02-10T11:42:49,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+/struc.xyz' 2026-02-10T11:42:49,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na/struc.xyz' 2026-02-10T11:42:49,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+/struc.xyz' 2026-02-10T11:42:49,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz' 2026-02-10T11:42:49,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+/struc.xyz' 2026-02-10T11:42:49,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p/struc.xyz' 2026-02-10T11:42:49,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+/struc.xyz' 2026-02-10T11:42:49,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s/struc.xyz' 2026-02-10T11:42:49,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+/struc.xyz' 2026-02-10T11:42:49,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si/struc.xyz' 2026-02-10T11:42:49,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+/struc.xyz' 2026-02-10T11:42:49,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1/struc.xyz' 2026-02-10T11:42:49,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100/struc.xyz' 2026-02-10T11:42:49,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104/struc.xyz' 2026-02-10T11:42:49,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106/struc.xyz' 2026-02-10T11:42:49,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11/struc.xyz' 2026-02-10T11:42:49,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113/struc.xyz' 2026-02-10T11:42:49,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117/struc.xyz' 2026-02-10T11:42:49,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118/struc.xyz' 2026-02-10T11:42:49,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121/struc.xyz' 2026-02-10T11:42:49,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126/struc.xyz' 2026-02-10T11:42:49,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128/struc.xyz' 2026-02-10T11:42:49,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13/struc.xyz' 2026-02-10T11:42:49,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14/struc.xyz' 2026-02-10T11:42:49,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18/struc.xyz' 2026-02-10T11:42:49,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21/struc.xyz' 2026-02-10T11:42:49,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22/struc.xyz' 2026-02-10T11:42:49,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23/struc.xyz' 2026-02-10T11:42:49,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24/struc.xyz' 2026-02-10T11:42:49,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25/struc.xyz' 2026-02-10T11:42:49,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26/struc.xyz' 2026-02-10T11:42:49,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30/struc.xyz' 2026-02-10T11:42:49,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32/struc.xyz' 2026-02-10T11:42:49,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33/struc.xyz' 2026-02-10T11:42:49,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34/struc.xyz' 2026-02-10T11:42:49,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39/struc.xyz' 2026-02-10T11:42:49,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40/struc.xyz' 2026-02-10T11:42:49,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45/struc.xyz' 2026-02-10T11:42:49,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47/struc.xyz' 2026-02-10T11:42:49,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51/struc.xyz' 2026-02-10T11:42:49,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52/struc.xyz' 2026-02-10T11:42:49,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56/struc.xyz' 2026-02-10T11:42:49,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57/struc.xyz' 2026-02-10T11:42:49,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58/struc.xyz' 2026-02-10T11:42:49,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59/struc.xyz' 2026-02-10T11:42:49,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6/struc.xyz' 2026-02-10T11:42:49,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60/struc.xyz' 2026-02-10T11:42:49,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61/struc.xyz' 2026-02-10T11:42:49,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62/struc.xyz' 2026-02-10T11:42:49,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66/struc.xyz' 2026-02-10T11:42:49,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67/struc.xyz' 2026-02-10T11:42:49,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68/struc.xyz' 2026-02-10T11:42:49,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73/struc.xyz' 2026-02-10T11:42:49,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8/struc.xyz' 2026-02-10T11:42:49,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82/struc.xyz' 2026-02-10T11:42:49,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88/struc.xyz' 2026-02-10T11:42:49,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94/struc.xyz' 2026-02-10T11:42:49,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97/struc.xyz' 2026-02-10T11:42:49,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA/struc.xyz' 2026-02-10T11:42:49,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz' 2026-02-10T11:42:49,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB/struc.xyz' 2026-02-10T11:42:49,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA/struc.xyz' 2026-02-10T11:42:49,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz' 2026-02-10T11:42:49,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB/struc.xyz' 2026-02-10T11:42:49,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz' 2026-02-10T11:42:49,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz' 2026-02-10T11:42:49,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz' 2026-02-10T11:42:49,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz' 2026-02-10T11:42:49,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz' 2026-02-10T11:42:49,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz' 2026-02-10T11:42:49,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz' 2026-02-10T11:42:49,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz' 2026-02-10T11:42:49,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz' 2026-02-10T11:42:49,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz' 2026-02-10T11:42:49,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz' 2026-02-10T11:42:49,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz' 2026-02-10T11:42:49,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz' 2026-02-10T11:42:49,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz' 2026-02-10T11:42:49,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz' 2026-02-10T11:42:49,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz' 2026-02-10T11:42:49,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz' 2026-02-10T11:42:49,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz' 2026-02-10T11:42:49,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz' 2026-02-10T11:42:49,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz' 2026-02-10T11:42:49,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz' 2026-02-10T11:42:49,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz' 2026-02-10T11:42:49,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz' 2026-02-10T11:42:49,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz' 2026-02-10T11:42:49,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz' 2026-02-10T11:42:49,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz' 2026-02-10T11:42:49,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz' 2026-02-10T11:42:49,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz' 2026-02-10T11:42:49,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz' 2026-02-10T11:42:49,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz' 2026-02-10T11:42:49,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz' 2026-02-10T11:42:49,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz' 2026-02-10T11:42:49,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz' 2026-02-10T11:42:49,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz' 2026-02-10T11:42:49,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz' 2026-02-10T11:42:49,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz' 2026-02-10T11:42:49,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr/struc.xyz' 2026-02-10T11:42:49,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz' 2026-02-10T11:42:49,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe/struc.xyz' 2026-02-10T11:42:49,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH/struc.xyz' 2026-02-10T11:42:49,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3/struc.xyz' 2026-02-10T11:42:49,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz' 2026-02-10T11:42:49,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz' 2026-02-10T11:42:49,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH/struc.xyz' 2026-02-10T11:42:49,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr/struc.xyz' 2026-02-10T11:42:49,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI/struc.xyz' 2026-02-10T11:42:49,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr/struc.xyz' 2026-02-10T11:42:49,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH/struc.xyz' 2026-02-10T11:42:49,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl/struc.xyz' 2026-02-10T11:42:49,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI/struc.xyz' 2026-02-10T11:42:49,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH/struc.xyz' 2026-02-10T11:42:49,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe/struc.xyz' 2026-02-10T11:42:49,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH/struc.xyz' 2026-02-10T11:42:49,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3/struc.xyz' 2026-02-10T11:42:49,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2/struc.xyz' 2026-02-10T11:42:49,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3/struc.xyz' 2026-02-10T11:42:49,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH/struc.xyz' 2026-02-10T11:42:49,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr/struc.xyz' 2026-02-10T11:42:49,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe/struc.xyz' 2026-02-10T11:42:49,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI/struc.xyz' 2026-02-10T11:42:49,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH/struc.xyz' 2026-02-10T11:42:49,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe/struc.xyz' 2026-02-10T11:42:49,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH/struc.xyz' 2026-02-10T11:42:49,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3/struc.xyz' 2026-02-10T11:42:49,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2/struc.xyz' 2026-02-10T11:42:49,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3/struc.xyz' 2026-02-10T11:42:49,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH/struc.xyz' 2026-02-10T11:42:49,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr/struc.xyz' 2026-02-10T11:42:49,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS/struc.xyz' 2026-02-10T11:42:49,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH/struc.xyz' 2026-02-10T11:42:49,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI/struc.xyz' 2026-02-10T11:42:49,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr/struc.xyz' 2026-02-10T11:42:49,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz' 2026-02-10T11:42:49,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS/struc.xyz' 2026-02-10T11:42:49,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS/struc.xyz' 2026-02-10T11:42:49,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr/struc.xyz' 2026-02-10T11:42:49,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI/struc.xyz' 2026-02-10T11:42:49,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3/struc.xyz' 2026-02-10T11:42:49,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI/struc.xyz' 2026-02-10T11:42:49,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr/struc.xyz' 2026-02-10T11:42:49,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl/struc.xyz' 2026-02-10T11:42:49,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS/struc.xyz' 2026-02-10T11:42:49,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS/struc.xyz' 2026-02-10T11:42:49,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr/struc.xyz' 2026-02-10T11:42:49,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI/struc.xyz' 2026-02-10T11:42:49,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS/struc.xyz' 2026-02-10T11:42:49,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2/struc.xyz' 2026-02-10T11:42:49,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3/struc.xyz' 2026-02-10T11:42:49,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH/struc.xyz' 2026-02-10T11:42:49,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI/struc.xyz' 2026-02-10T11:42:49,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr/struc.xyz' 2026-02-10T11:42:49,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl/struc.xyz' 2026-02-10T11:42:49,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS/struc.xyz' 2026-02-10T11:42:49,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS/struc.xyz' 2026-02-10T11:42:49,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr/struc.xyz' 2026-02-10T11:42:49,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI/struc.xyz' 2026-02-10T11:42:49,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr/struc.xyz' 2026-02-10T11:42:49,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI/struc.xyz' 2026-02-10T11:42:49,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr/struc.xyz' 2026-02-10T11:42:49,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3/struc.xyz' 2026-02-10T11:42:49,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2/struc.xyz' 2026-02-10T11:42:49,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz' 2026-02-10T11:42:49,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz' 2026-02-10T11:42:49,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz' 2026-02-10T11:42:49,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz' 2026-02-10T11:42:49,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi/struc.xyz' 2026-02-10T11:42:49,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz' 2026-02-10T11:42:49,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o/struc.xyz' 2026-02-10T11:42:49,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s/struc.xyz' 2026-02-10T11:42:49,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr/struc.xyz' 2026-02-10T11:42:49,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl/struc.xyz' 2026-02-10T11:42:49,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi/struc.xyz' 2026-02-10T11:42:49,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3/struc.xyz' 2026-02-10T11:42:49,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4/struc.xyz' 2026-02-10T11:42:49,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2/struc.xyz' 2026-02-10T11:42:49,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz' 2026-02-10T11:42:49,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz' 2026-02-10T11:42:49,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz' 2026-02-10T11:42:49,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz' 2026-02-10T11:42:49,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz' 2026-02-10T11:42:49,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz' 2026-02-10T11:42:49,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3/struc.xyz' 2026-02-10T11:42:49,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2/struc.xyz' 2026-02-10T11:42:49,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz' 2026-02-10T11:42:49,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz' 2026-02-10T11:42:49,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz' 2026-02-10T11:42:49,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz' 2026-02-10T11:42:49,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz' 2026-02-10T11:42:49,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz' 2026-02-10T11:42:49,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2/struc.xyz' 2026-02-10T11:42:49,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2/struc.xyz' 2026-02-10T11:42:49,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz' 2026-02-10T11:42:49,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz' 2026-02-10T11:42:49,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz' 2026-02-10T11:42:49,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz' 2026-02-10T11:42:49,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi/struc.xyz' 2026-02-10T11:42:49,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz' 2026-02-10T11:42:49,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4/struc.xyz' 2026-02-10T11:42:49,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2/struc.xyz' 2026-02-10T11:42:49,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br/struc.xyz' 2026-02-10T11:42:49,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2/struc.xyz' 2026-02-10T11:42:49,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl/struc.xyz' 2026-02-10T11:42:49,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2/struc.xyz' 2026-02-10T11:42:49,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz' 2026-02-10T11:42:49,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3/struc.xyz' 2026-02-10T11:42:49,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2/struc.xyz' 2026-02-10T11:42:49,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2/struc.xyz' 2026-02-10T11:42:49,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4/struc.xyz' 2026-02-10T11:42:49,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz' 2026-02-10T11:42:49,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3/struc.xyz' 2026-02-10T11:42:49,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2/struc.xyz' 2026-02-10T11:42:49,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz' 2026-02-10T11:42:49,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2/struc.xyz' 2026-02-10T11:42:49,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh/struc.xyz' 2026-02-10T11:42:49,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh/struc.xyz' 2026-02-10T11:42:49,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz' 2026-02-10T11:42:49,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3/struc.xyz' 2026-02-10T11:42:49,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2/struc.xyz' 2026-02-10T11:42:49,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme/struc.xyz' 2026-02-10T11:42:49,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1/struc.xyz' 2026-02-10T11:42:49,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2/struc.xyz' 2026-02-10T11:42:49,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3/struc.xyz' 2026-02-10T11:42:49,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1/struc.xyz' 2026-02-10T11:42:49,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2/struc.xyz' 2026-02-10T11:42:49,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3/struc.xyz' 2026-02-10T11:42:49,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4/struc.xyz' 2026-02-10T11:42:49,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1/struc.xyz' 2026-02-10T11:42:49,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2/struc.xyz' 2026-02-10T11:42:49,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3/struc.xyz' 2026-02-10T11:42:49,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1/struc.xyz' 2026-02-10T11:42:49,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2/struc.xyz' 2026-02-10T11:42:49,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1/struc.xyz' 2026-02-10T11:42:49,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2/struc.xyz' 2026-02-10T11:42:49,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3/struc.xyz' 2026-02-10T11:42:49,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1/struc.xyz' 2026-02-10T11:42:49,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2/struc.xyz' 2026-02-10T11:42:49,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1/struc.xyz' 2026-02-10T11:42:49,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2/struc.xyz' 2026-02-10T11:42:49,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1/struc.xyz' 2026-02-10T11:42:49,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2/struc.xyz' 2026-02-10T11:42:49,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1/struc.xyz' 2026-02-10T11:42:49,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2/struc.xyz' 2026-02-10T11:42:49,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3/struc.xyz' 2026-02-10T11:42:49,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4/struc.xyz' 2026-02-10T11:42:49,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1/struc.xyz' 2026-02-10T11:42:49,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2/struc.xyz' 2026-02-10T11:42:49,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f/struc.xyz' 2026-02-10T11:42:49,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l/struc.xyz' 2026-02-10T11:42:49,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f/struc.xyz' 2026-02-10T11:42:49,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l/struc.xyz' 2026-02-10T11:42:49,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant/struc.xyz' 2026-02-10T11:42:49,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer/struc.xyz' 2026-02-10T11:42:49,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2/struc.xyz' 2026-02-10T11:42:49,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1/struc.xyz' 2026-02-10T11:42:49,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2/struc.xyz' 2026-02-10T11:42:49,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22/struc.xyz' 2026-02-10T11:42:49,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene/struc.xyz' 2026-02-10T11:42:49,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1/struc.xyz' 2026-02-10T11:42:49,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2/struc.xyz' 2026-02-10T11:42:49,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008/struc.xyz' 2026-02-10T11:42:49,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A/struc.xyz' 2026-02-10T11:42:49,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B/struc.xyz' 2026-02-10T11:42:49,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144/struc.xyz' 2026-02-10T11:42:49,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A/struc.xyz' 2026-02-10T11:42:49,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B/struc.xyz' 2026-02-10T11:42:49,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147/struc.xyz' 2026-02-10T11:42:49,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A/struc.xyz' 2026-02-10T11:42:49,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B/struc.xyz' 2026-02-10T11:42:49,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148/struc.xyz' 2026-02-10T11:42:49,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A/struc.xyz' 2026-02-10T11:42:49,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B/struc.xyz' 2026-02-10T11:42:49,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150/struc.xyz' 2026-02-10T11:42:49,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A/struc.xyz' 2026-02-10T11:42:49,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B/struc.xyz' 2026-02-10T11:42:49,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152/struc.xyz' 2026-02-10T11:42:49,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A/struc.xyz' 2026-02-10T11:42:49,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B/struc.xyz' 2026-02-10T11:42:49,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187/struc.xyz' 2026-02-10T11:42:49,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A/struc.xyz' 2026-02-10T11:42:49,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B/struc.xyz' 2026-02-10T11:42:49,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202/struc.xyz' 2026-02-10T11:42:49,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A/struc.xyz' 2026-02-10T11:42:49,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B/struc.xyz' 2026-02-10T11:42:49,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212/struc.xyz' 2026-02-10T11:42:49,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A/struc.xyz' 2026-02-10T11:42:49,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B/struc.xyz' 2026-02-10T11:42:49,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213/struc.xyz' 2026-02-10T11:42:49,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A/struc.xyz' 2026-02-10T11:42:49,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B/struc.xyz' 2026-02-10T11:42:49,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214/struc.xyz' 2026-02-10T11:42:49,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A/struc.xyz' 2026-02-10T11:42:49,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B/struc.xyz' 2026-02-10T11:42:49,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227/struc.xyz' 2026-02-10T11:42:49,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A/struc.xyz' 2026-02-10T11:42:49,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B/struc.xyz' 2026-02-10T11:42:49,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228/struc.xyz' 2026-02-10T11:42:49,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A/struc.xyz' 2026-02-10T11:42:49,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B/struc.xyz' 2026-02-10T11:42:49,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229/struc.xyz' 2026-02-10T11:42:49,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A/struc.xyz' 2026-02-10T11:42:49,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B/struc.xyz' 2026-02-10T11:42:49,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230/struc.xyz' 2026-02-10T11:42:49,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A/struc.xyz' 2026-02-10T11:42:49,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B/struc.xyz' 2026-02-10T11:42:49,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231/struc.xyz' 2026-02-10T11:42:49,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A/struc.xyz' 2026-02-10T11:42:49,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B/struc.xyz' 2026-02-10T11:42:49,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene/struc.xyz' 2026-02-10T11:42:49,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz' 2026-02-10T11:42:49,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene/struc.xyz' 2026-02-10T11:42:49,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz' 2026-02-10T11:42:49,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene/struc.xyz' 2026-02-10T11:42:49,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS/struc.xyz' 2026-02-10T11:42:49,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz' 2026-02-10T11:42:49,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz' 2026-02-10T11:42:49,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz' 2026-02-10T11:42:49,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz' 2026-02-10T11:42:49,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether/struc.xyz' 2026-02-10T11:42:49,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS/struc.xyz' 2026-02-10T11:42:49,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O/struc.xyz' 2026-02-10T11:42:49,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS/struc.xyz' 2026-02-10T11:42:49,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S/struc.xyz' 2026-02-10T11:42:49,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS/struc.xyz' 2026-02-10T11:42:49,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene/struc.xyz' 2026-02-10T11:42:49,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz' 2026-02-10T11:42:50,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine/struc.xyz' 2026-02-10T11:42:50,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz' 2026-02-10T11:42:50,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3/struc.xyz' 2026-02-10T11:42:50,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS/struc.xyz' 2026-02-10T11:42:50,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3/struc.xyz' 2026-02-10T11:42:50,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS/struc.xyz' 2026-02-10T11:42:50,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3/struc.xyz' 2026-02-10T11:42:50,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS/struc.xyz' 2026-02-10T11:42:50,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph/struc.xyz' 2026-02-10T11:42:50,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS/struc.xyz' 2026-02-10T11:42:50,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3/struc.xyz' 2026-02-10T11:42:50,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS/struc.xyz' 2026-02-10T11:42:50,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3/struc.xyz' 2026-02-10T11:42:50,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS/struc.xyz' 2026-02-10T11:42:50,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene/struc.xyz' 2026-02-10T11:42:50,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz' 2026-02-10T11:42:50,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2/struc.xyz' 2026-02-10T11:42:50,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS/struc.xyz' 2026-02-10T11:42:50,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene/struc.xyz' 2026-02-10T11:42:50,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS/struc.xyz' 2026-02-10T11:42:50,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz' 2026-02-10T11:42:50,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz' 2026-02-10T11:42:50,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene/struc.xyz' 2026-02-10T11:42:50,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz' 2026-02-10T11:42:50,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether/struc.xyz' 2026-02-10T11:42:50,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS/struc.xyz' 2026-02-10T11:42:50,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene/struc.xyz' 2026-02-10T11:42:50,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz' 2026-02-10T11:42:50,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz' 2026-02-10T11:42:50,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz' 2026-02-10T11:42:50,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1/struc.xyz' 2026-02-10T11:42:50,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10/struc.xyz' 2026-02-10T11:42:50,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11/struc.xyz' 2026-02-10T11:42:50,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12/struc.xyz' 2026-02-10T11:42:50,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13/struc.xyz' 2026-02-10T11:42:50,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14/struc.xyz' 2026-02-10T11:42:50,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15/struc.xyz' 2026-02-10T11:42:50,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16/struc.xyz' 2026-02-10T11:42:50,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17/struc.xyz' 2026-02-10T11:42:50,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18/struc.xyz' 2026-02-10T11:42:50,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19/struc.xyz' 2026-02-10T11:42:50,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20/struc.xyz' 2026-02-10T11:42:50,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21/struc.xyz' 2026-02-10T11:42:50,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22/struc.xyz' 2026-02-10T11:42:50,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23/struc.xyz' 2026-02-10T11:42:50,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24/struc.xyz' 2026-02-10T11:42:50,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25/struc.xyz' 2026-02-10T11:42:50,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26/struc.xyz' 2026-02-10T11:42:50,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27/struc.xyz' 2026-02-10T11:42:50,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28/struc.xyz' 2026-02-10T11:42:50,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29/struc.xyz' 2026-02-10T11:42:50,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3/struc.xyz' 2026-02-10T11:42:50,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30/struc.xyz' 2026-02-10T11:42:50,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31/struc.xyz' 2026-02-10T11:42:50,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32/struc.xyz' 2026-02-10T11:42:50,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33/struc.xyz' 2026-02-10T11:42:50,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34/struc.xyz' 2026-02-10T11:42:50,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4/struc.xyz' 2026-02-10T11:42:50,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5/struc.xyz' 2026-02-10T11:42:50,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7/struc.xyz' 2026-02-10T11:42:50,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8/struc.xyz' 2026-02-10T11:42:50,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9/struc.xyz' 2026-02-10T11:42:50,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1/struc.xyz' 2026-02-10T11:42:50,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10/struc.xyz' 2026-02-10T11:42:50,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11/struc.xyz' 2026-02-10T11:42:50,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12/struc.xyz' 2026-02-10T11:42:50,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13/struc.xyz' 2026-02-10T11:42:50,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14/struc.xyz' 2026-02-10T11:42:50,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15/struc.xyz' 2026-02-10T11:42:50,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16/struc.xyz' 2026-02-10T11:42:50,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17/struc.xyz' 2026-02-10T11:42:50,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18/struc.xyz' 2026-02-10T11:42:50,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2/struc.xyz' 2026-02-10T11:42:50,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20/struc.xyz' 2026-02-10T11:42:50,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21/struc.xyz' 2026-02-10T11:42:50,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23/struc.xyz' 2026-02-10T11:42:50,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24/struc.xyz' 2026-02-10T11:42:50,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25/struc.xyz' 2026-02-10T11:42:50,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26/struc.xyz' 2026-02-10T11:42:50,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27/struc.xyz' 2026-02-10T11:42:50,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28/struc.xyz' 2026-02-10T11:42:50,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29/struc.xyz' 2026-02-10T11:42:50,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3/struc.xyz' 2026-02-10T11:42:50,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30/struc.xyz' 2026-02-10T11:42:50,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31/struc.xyz' 2026-02-10T11:42:50,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32/struc.xyz' 2026-02-10T11:42:50,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33/struc.xyz' 2026-02-10T11:42:50,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34/struc.xyz' 2026-02-10T11:42:50,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4/struc.xyz' 2026-02-10T11:42:50,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6/struc.xyz' 2026-02-10T11:42:50,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7/struc.xyz' 2026-02-10T11:42:50,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8/struc.xyz' 2026-02-10T11:42:50,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9/struc.xyz' 2026-02-10T11:42:50,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e/struc.xyz' 2026-02-10T11:42:50,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p/struc.xyz' 2026-02-10T11:42:50,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e/struc.xyz' 2026-02-10T11:42:50,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p/struc.xyz' 2026-02-10T11:42:50,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e/struc.xyz' 2026-02-10T11:42:50,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p/struc.xyz' 2026-02-10T11:42:50,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e/struc.xyz' 2026-02-10T11:42:50,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p/struc.xyz' 2026-02-10T11:42:50,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e/struc.xyz' 2026-02-10T11:42:50,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p/struc.xyz' 2026-02-10T11:42:50,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e/struc.xyz' 2026-02-10T11:42:50,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p/struc.xyz' 2026-02-10T11:42:50,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e/struc.xyz' 2026-02-10T11:42:50,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p/struc.xyz' 2026-02-10T11:42:50,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e/struc.xyz' 2026-02-10T11:42:50,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p/struc.xyz' 2026-02-10T11:42:50,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e/struc.xyz' 2026-02-10T11:42:50,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p/struc.xyz' 2026-02-10T11:42:50,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e/struc.xyz' 2026-02-10T11:42:50,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p/struc.xyz' 2026-02-10T11:42:50,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e/struc.xyz' 2026-02-10T11:42:50,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p/struc.xyz' 2026-02-10T11:42:50,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e/struc.xyz' 2026-02-10T11:42:50,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p/struc.xyz' 2026-02-10T11:42:50,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e/struc.xyz' 2026-02-10T11:42:50,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p/struc.xyz' 2026-02-10T11:42:50,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e/struc.xyz' 2026-02-10T11:42:50,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p/struc.xyz' 2026-02-10T11:42:50,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e/struc.xyz' 2026-02-10T11:42:50,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p/struc.xyz' 2026-02-10T11:42:50,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e/struc.xyz' 2026-02-10T11:42:50,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p/struc.xyz' 2026-02-10T11:42:50,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e/struc.xyz' 2026-02-10T11:42:50,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p/struc.xyz' 2026-02-10T11:42:50,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e/struc.xyz' 2026-02-10T11:42:50,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p/struc.xyz' 2026-02-10T11:42:50,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e/struc.xyz' 2026-02-10T11:42:50,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p/struc.xyz' 2026-02-10T11:42:50,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e/struc.xyz' 2026-02-10T11:42:50,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz' 2026-02-10T11:42:50,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e/struc.xyz' 2026-02-10T11:42:50,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p/struc.xyz' 2026-02-10T11:42:50,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e/struc.xyz' 2026-02-10T11:42:50,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p/struc.xyz' 2026-02-10T11:42:50,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e/struc.xyz' 2026-02-10T11:42:50,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p/struc.xyz' 2026-02-10T11:42:50,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e/struc.xyz' 2026-02-10T11:42:50,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p/struc.xyz' 2026-02-10T11:42:50,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01/struc.xyz' 2026-02-10T11:42:50,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02/struc.xyz' 2026-02-10T11:42:50,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03/struc.xyz' 2026-02-10T11:42:50,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04/struc.xyz' 2026-02-10T11:42:50,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05/struc.xyz' 2026-02-10T11:42:50,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06/struc.xyz' 2026-02-10T11:42:50,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07/struc.xyz' 2026-02-10T11:42:50,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08/struc.xyz' 2026-02-10T11:42:50,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09/struc.xyz' 2026-02-10T11:42:50,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10/struc.xyz' 2026-02-10T11:42:50,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11/struc.xyz' 2026-02-10T11:42:50,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12/struc.xyz' 2026-02-10T11:42:50,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13/struc.xyz' 2026-02-10T11:42:50,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14/struc.xyz' 2026-02-10T11:42:50,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15/struc.xyz' 2026-02-10T11:42:50,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16/struc.xyz' 2026-02-10T11:42:50,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17/struc.xyz' 2026-02-10T11:42:50,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18/struc.xyz' 2026-02-10T11:42:50,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19/struc.xyz' 2026-02-10T11:42:50,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20/struc.xyz' 2026-02-10T11:42:50,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21/struc.xyz' 2026-02-10T11:42:50,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22/struc.xyz' 2026-02-10T11:42:50,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23/struc.xyz' 2026-02-10T11:42:50,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24/struc.xyz' 2026-02-10T11:42:50,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25/struc.xyz' 2026-02-10T11:42:50,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26/struc.xyz' 2026-02-10T11:42:50,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27/struc.xyz' 2026-02-10T11:42:50,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28/struc.xyz' 2026-02-10T11:42:50,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29/struc.xyz' 2026-02-10T11:42:50,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30/struc.xyz' 2026-02-10T11:42:50,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31/struc.xyz' 2026-02-10T11:42:50,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32/struc.xyz' 2026-02-10T11:42:50,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33/struc.xyz' 2026-02-10T11:42:50,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34/struc.xyz' 2026-02-10T11:42:50,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35/struc.xyz' 2026-02-10T11:42:50,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36/struc.xyz' 2026-02-10T11:42:50,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37/struc.xyz' 2026-02-10T11:42:50,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38/struc.xyz' 2026-02-10T11:42:50,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39/struc.xyz' 2026-02-10T11:42:50,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40/struc.xyz' 2026-02-10T11:42:50,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41/struc.xyz' 2026-02-10T11:42:50,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42/struc.xyz' 2026-02-10T11:42:50,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43/struc.xyz' 2026-02-10T11:42:50,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3/struc.xyz' 2026-02-10T11:42:50,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3/struc.xyz' 2026-02-10T11:42:50,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2/struc.xyz' 2026-02-10T11:42:50,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4/struc.xyz' 2026-02-10T11:42:50,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2/struc.xyz' 2026-02-10T11:42:50,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2/struc.xyz' 2026-02-10T11:42:50,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2/struc.xyz' 2026-02-10T11:42:50,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH/struc.xyz' 2026-02-10T11:42:50,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2/struc.xyz' 2026-02-10T11:42:50,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2/struc.xyz' 2026-02-10T11:42:50,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH/struc.xyz' 2026-02-10T11:42:50,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2/struc.xyz' 2026-02-10T11:42:50,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2/struc.xyz' 2026-02-10T11:42:50,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2/struc.xyz' 2026-02-10T11:42:50,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4/struc.xyz' 2026-02-10T11:42:50,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1/struc.xyz' 2026-02-10T11:42:50,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10/struc.xyz' 2026-02-10T11:42:50,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11/struc.xyz' 2026-02-10T11:42:50,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12/struc.xyz' 2026-02-10T11:42:50,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13/struc.xyz' 2026-02-10T11:42:50,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14/struc.xyz' 2026-02-10T11:42:50,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15/struc.xyz' 2026-02-10T11:42:50,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16/struc.xyz' 2026-02-10T11:42:50,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17/struc.xyz' 2026-02-10T11:42:50,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18/struc.xyz' 2026-02-10T11:42:50,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19/struc.xyz' 2026-02-10T11:42:50,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2/struc.xyz' 2026-02-10T11:42:50,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20/struc.xyz' 2026-02-10T11:42:50,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21/struc.xyz' 2026-02-10T11:42:50,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22/struc.xyz' 2026-02-10T11:42:50,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23/struc.xyz' 2026-02-10T11:42:50,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24/struc.xyz' 2026-02-10T11:42:50,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25/struc.xyz' 2026-02-10T11:42:50,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26/struc.xyz' 2026-02-10T11:42:50,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27/struc.xyz' 2026-02-10T11:42:50,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28/struc.xyz' 2026-02-10T11:42:50,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29/struc.xyz' 2026-02-10T11:42:50,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3/struc.xyz' 2026-02-10T11:42:50,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30/struc.xyz' 2026-02-10T11:42:50,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31/struc.xyz' 2026-02-10T11:42:50,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32/struc.xyz' 2026-02-10T11:42:50,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33/struc.xyz' 2026-02-10T11:42:50,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34/struc.xyz' 2026-02-10T11:42:50,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35/struc.xyz' 2026-02-10T11:42:50,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36/struc.xyz' 2026-02-10T11:42:50,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37/struc.xyz' 2026-02-10T11:42:50,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38/struc.xyz' 2026-02-10T11:42:50,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39/struc.xyz' 2026-02-10T11:42:50,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4/struc.xyz' 2026-02-10T11:42:50,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40/struc.xyz' 2026-02-10T11:42:50,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41/struc.xyz' 2026-02-10T11:42:50,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42/struc.xyz' 2026-02-10T11:42:50,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43/struc.xyz' 2026-02-10T11:42:50,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44/struc.xyz' 2026-02-10T11:42:50,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45/struc.xyz' 2026-02-10T11:42:50,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46/struc.xyz' 2026-02-10T11:42:50,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47/struc.xyz' 2026-02-10T11:42:50,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48/struc.xyz' 2026-02-10T11:42:50,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49/struc.xyz' 2026-02-10T11:42:50,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5/struc.xyz' 2026-02-10T11:42:50,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50/struc.xyz' 2026-02-10T11:42:50,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51/struc.xyz' 2026-02-10T11:42:50,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52/struc.xyz' 2026-02-10T11:42:50,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6/struc.xyz' 2026-02-10T11:42:50,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7/struc.xyz' 2026-02-10T11:42:50,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8/struc.xyz' 2026-02-10T11:42:50,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9/struc.xyz' 2026-02-10T11:42:50,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3/struc.xyz' 2026-02-10T11:42:50,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz' 2026-02-10T11:42:50,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3/struc.xyz' 2026-02-10T11:42:50,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3/struc.xyz' 2026-02-10T11:42:50,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3/struc.xyz' 2026-02-10T11:42:50,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3/struc.xyz' 2026-02-10T11:42:50,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2/struc.xyz' 2026-02-10T11:42:50,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl/struc.xyz' 2026-02-10T11:42:50,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F/struc.xyz' 2026-02-10T11:42:50,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H/struc.xyz' 2026-02-10T11:42:50,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3/struc.xyz' 2026-02-10T11:42:50,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3/struc.xyz' 2026-02-10T11:42:50,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3/struc.xyz' 2026-02-10T11:42:50,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz/struc.xyz' 2026-02-10T11:42:50,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut/struc.xyz' 2026-02-10T11:42:50,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch/struc.xyz' 2026-02-10T11:42:50,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2/struc.xyz' 2026-02-10T11:42:50,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh/struc.xyz' 2026-02-10T11:42:50,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2/struc.xyz' 2026-02-10T11:42:50,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3/struc.xyz' 2026-02-10T11:42:50,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3/struc.xyz' 2026-02-10T11:42:50,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A/struc.xyz' 2026-02-10T11:42:50,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap/struc.xyz' 2026-02-10T11:42:50,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C/struc.xyz' 2026-02-10T11:42:50,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp/struc.xyz' 2026-02-10T11:42:50,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G/struc.xyz' 2026-02-10T11:42:50,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp/struc.xyz' 2026-02-10T11:42:50,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T/struc.xyz' 2026-02-10T11:42:50,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp/struc.xyz' 2026-02-10T11:42:50,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass/struc.xyz' 2026-02-10T11:42:50,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp/struc.xyz' 2026-02-10T11:42:50,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6/struc.xyz' 2026-02-10T11:42:50,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p/struc.xyz' 2026-02-10T11:42:50,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2/struc.xyz' 2026-02-10T11:42:50,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p/struc.xyz' 2026-02-10T11:42:50,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s/struc.xyz' 2026-02-10T11:42:50,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp/struc.xyz' 2026-02-10T11:42:50,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh/struc.xyz' 2026-02-10T11:42:50,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp/struc.xyz' 2026-02-10T11:42:50,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys/struc.xyz' 2026-02-10T11:42:50,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp/struc.xyz' 2026-02-10T11:42:50,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol/struc.xyz' 2026-02-10T11:42:50,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp/struc.xyz' 2026-02-10T11:42:50,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly/struc.xyz' 2026-02-10T11:42:50,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp/struc.xyz' 2026-02-10T11:42:50,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2/struc.xyz' 2026-02-10T11:42:50,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o/struc.xyz' 2026-02-10T11:42:50,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op/struc.xyz' 2026-02-10T11:42:50,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p/struc.xyz' 2026-02-10T11:42:50,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s/struc.xyz' 2026-02-10T11:42:50,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp/struc.xyz' 2026-02-10T11:42:50,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl/struc.xyz' 2026-02-10T11:42:50,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp/struc.xyz' 2026-02-10T11:42:50,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3/struc.xyz' 2026-02-10T11:42:50,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p/struc.xyz' 2026-02-10T11:42:50,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2/struc.xyz' 2026-02-10T11:42:50,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p/struc.xyz' 2026-02-10T11:42:50,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4/struc.xyz' 2026-02-10T11:42:50,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p/struc.xyz' 2026-02-10T11:42:50,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6/struc.xyz' 2026-02-10T11:42:50,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p/struc.xyz' 2026-02-10T11:42:50,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8/struc.xyz' 2026-02-10T11:42:50,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p/struc.xyz' 2026-02-10T11:42:50,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3/struc.xyz' 2026-02-10T11:42:50,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p/struc.xyz' 2026-02-10T11:42:50,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol/struc.xyz' 2026-02-10T11:42:50,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp/struc.xyz' 2026-02-10T11:42:50,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol/struc.xyz' 2026-02-10T11:42:50,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp/struc.xyz' 2026-02-10T11:42:50,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6/struc.xyz' 2026-02-10T11:42:50,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p/struc.xyz' 2026-02-10T11:42:50,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4/struc.xyz' 2026-02-10T11:42:50,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p/struc.xyz' 2026-02-10T11:42:50,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0/struc.xyz' 2026-02-10T11:42:50,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1/struc.xyz' 2026-02-10T11:42:50,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2/struc.xyz' 2026-02-10T11:42:50,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0/struc.xyz' 2026-02-10T11:42:50,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1/struc.xyz' 2026-02-10T11:42:50,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2/struc.xyz' 2026-02-10T11:42:50,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3/struc.xyz' 2026-02-10T11:42:50,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1/struc.xyz' 2026-02-10T11:42:50,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2/struc.xyz' 2026-02-10T11:42:50,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3/struc.xyz' 2026-02-10T11:42:50,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0/struc.xyz' 2026-02-10T11:42:50,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2/struc.xyz' 2026-02-10T11:42:50,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41/struc.xyz' 2026-02-10T11:42:50,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42/struc.xyz' 2026-02-10T11:42:50,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43/struc.xyz' 2026-02-10T11:42:50,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41/struc.xyz' 2026-02-10T11:42:50,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42/struc.xyz' 2026-02-10T11:42:50,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71/struc.xyz' 2026-02-10T11:42:50,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72/struc.xyz' 2026-02-10T11:42:50,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71/struc.xyz' 2026-02-10T11:42:50,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72/struc.xyz' 2026-02-10T11:42:50,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0/struc.xyz' 2026-02-10T11:42:50,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1/struc.xyz' 2026-02-10T11:42:50,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2/struc.xyz' 2026-02-10T11:42:50,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3/struc.xyz' 2026-02-10T11:42:50,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41/struc.xyz' 2026-02-10T11:42:50,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42/struc.xyz' 2026-02-10T11:42:50,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0/struc.xyz' 2026-02-10T11:42:50,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2/struc.xyz' 2026-02-10T11:42:50,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3/struc.xyz' 2026-02-10T11:42:50,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4/struc.xyz' 2026-02-10T11:42:50,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114/struc.xyz' 2026-02-10T11:42:50,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215/struc.xyz' 2026-02-10T11:42:50,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224/struc.xyz' 2026-02-10T11:42:50,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300/struc.xyz' 2026-02-10T11:42:50,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357/struc.xyz' 2026-02-10T11:42:50,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366/struc.xyz' 2026-02-10T11:42:50,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412/struc.xyz' 2026-02-10T11:42:50,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444/struc.xyz' 2026-02-10T11:42:50,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470/struc.xyz' 2026-02-10T11:42:50,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691/struc.xyz' 2026-02-10T11:42:50,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99/struc.xyz' 2026-02-10T11:42:50,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL/struc.xyz' 2026-02-10T11:42:50,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR/struc.xyz' 2026-02-10T11:42:50,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab/struc.xyz' 2026-02-10T11:42:50,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b/struc.xyz' 2026-02-10T11:42:50,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII/struc.xyz' 2026-02-10T11:42:50,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL/struc.xyz' 2026-02-10T11:42:50,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR/struc.xyz' 2026-02-10T11:42:50,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab/struc.xyz' 2026-02-10T11:42:50,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b/struc.xyz' 2026-02-10T11:42:50,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII/struc.xyz' 2026-02-10T11:42:50,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1/struc.xyz' 2026-02-10T11:42:50,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10/struc.xyz' 2026-02-10T11:42:50,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a/struc.xyz' 2026-02-10T11:42:50,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b/struc.xyz' 2026-02-10T11:42:50,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11/struc.xyz' 2026-02-10T11:42:50,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a/struc.xyz' 2026-02-10T11:42:50,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b/struc.xyz' 2026-02-10T11:42:50,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12/struc.xyz' 2026-02-10T11:42:50,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a/struc.xyz' 2026-02-10T11:42:50,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b/struc.xyz' 2026-02-10T11:42:50,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13/struc.xyz' 2026-02-10T11:42:50,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a/struc.xyz' 2026-02-10T11:42:50,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b/struc.xyz' 2026-02-10T11:42:50,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14/struc.xyz' 2026-02-10T11:42:50,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a/struc.xyz' 2026-02-10T11:42:50,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b/struc.xyz' 2026-02-10T11:42:50,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15/struc.xyz' 2026-02-10T11:42:50,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a/struc.xyz' 2026-02-10T11:42:50,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b/struc.xyz' 2026-02-10T11:42:50,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16/struc.xyz' 2026-02-10T11:42:50,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a/struc.xyz' 2026-02-10T11:42:50,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b/struc.xyz' 2026-02-10T11:42:50,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17/struc.xyz' 2026-02-10T11:42:50,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a/struc.xyz' 2026-02-10T11:42:50,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b/struc.xyz' 2026-02-10T11:42:50,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18/struc.xyz' 2026-02-10T11:42:50,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a/struc.xyz' 2026-02-10T11:42:50,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b/struc.xyz' 2026-02-10T11:42:50,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19/struc.xyz' 2026-02-10T11:42:50,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a/struc.xyz' 2026-02-10T11:42:50,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b/struc.xyz' 2026-02-10T11:42:50,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a/struc.xyz' 2026-02-10T11:42:50,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b/struc.xyz' 2026-02-10T11:42:50,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2/struc.xyz' 2026-02-10T11:42:50,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20/struc.xyz' 2026-02-10T11:42:50,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a/struc.xyz' 2026-02-10T11:42:50,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b/struc.xyz' 2026-02-10T11:42:50,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21/struc.xyz' 2026-02-10T11:42:50,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a/struc.xyz' 2026-02-10T11:42:50,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b/struc.xyz' 2026-02-10T11:42:50,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22/struc.xyz' 2026-02-10T11:42:50,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a/struc.xyz' 2026-02-10T11:42:50,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b/struc.xyz' 2026-02-10T11:42:50,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23/struc.xyz' 2026-02-10T11:42:50,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a/struc.xyz' 2026-02-10T11:42:50,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b/struc.xyz' 2026-02-10T11:42:50,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a/struc.xyz' 2026-02-10T11:42:50,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b/struc.xyz' 2026-02-10T11:42:50,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3/struc.xyz' 2026-02-10T11:42:50,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a/struc.xyz' 2026-02-10T11:42:50,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b/struc.xyz' 2026-02-10T11:42:50,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4/struc.xyz' 2026-02-10T11:42:50,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a/struc.xyz' 2026-02-10T11:42:50,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b/struc.xyz' 2026-02-10T11:42:50,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5/struc.xyz' 2026-02-10T11:42:50,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a/struc.xyz' 2026-02-10T11:42:50,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b/struc.xyz' 2026-02-10T11:42:50,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6/struc.xyz' 2026-02-10T11:42:50,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a/struc.xyz' 2026-02-10T11:42:50,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b/struc.xyz' 2026-02-10T11:42:50,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7/struc.xyz' 2026-02-10T11:42:50,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a/struc.xyz' 2026-02-10T11:42:50,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b/struc.xyz' 2026-02-10T11:42:50,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8/struc.xyz' 2026-02-10T11:42:50,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a/struc.xyz' 2026-02-10T11:42:50,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b/struc.xyz' 2026-02-10T11:42:50,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9/struc.xyz' 2026-02-10T11:42:50,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a/struc.xyz' 2026-02-10T11:42:50,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b/struc.xyz' 2026-02-10T11:42:50,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o/struc.xyz' 2026-02-10T11:42:50,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2/struc.xyz' 2026-02-10T11:42:50,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts/struc.xyz' 2026-02-10T11:42:50,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3/struc.xyz' 2026-02-10T11:42:50,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts/struc.xyz' 2026-02-10T11:42:50,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4/struc.xyz' 2026-02-10T11:42:50,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts/struc.xyz' 2026-02-10T11:42:50,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5/struc.xyz' 2026-02-10T11:42:50,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts/struc.xyz' 2026-02-10T11:42:50,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6/struc.xyz' 2026-02-10T11:42:50,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts/struc.xyz' 2026-02-10T11:42:50,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf/struc.xyz' 2026-02-10T11:42:50,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2/struc.xyz' 2026-02-10T11:42:50,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts/struc.xyz' 2026-02-10T11:42:50,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3/struc.xyz' 2026-02-10T11:42:50,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts/struc.xyz' 2026-02-10T11:42:50,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4/struc.xyz' 2026-02-10T11:42:50,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts/struc.xyz' 2026-02-10T11:42:50,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5/struc.xyz' 2026-02-10T11:42:50,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts/struc.xyz' 2026-02-10T11:42:50,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6/struc.xyz' 2026-02-10T11:42:50,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts/struc.xyz' 2026-02-10T11:42:50,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3/struc.xyz' 2026-02-10T11:42:50,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2/struc.xyz' 2026-02-10T11:42:50,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts/struc.xyz' 2026-02-10T11:42:50,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3/struc.xyz' 2026-02-10T11:42:50,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts/struc.xyz' 2026-02-10T11:42:50,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4/struc.xyz' 2026-02-10T11:42:50,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts/struc.xyz' 2026-02-10T11:42:50,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e/struc.xyz' 2026-02-10T11:42:50,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1/struc.xyz' 2026-02-10T11:42:50,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2/struc.xyz' 2026-02-10T11:42:50,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e/struc.xyz' 2026-02-10T11:42:50,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1/struc.xyz' 2026-02-10T11:42:50,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2/struc.xyz' 2026-02-10T11:42:50,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3/struc.xyz' 2026-02-10T11:42:50,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e/struc.xyz' 2026-02-10T11:42:50,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1/struc.xyz' 2026-02-10T11:42:50,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2/struc.xyz' 2026-02-10T11:42:50,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3/struc.xyz' 2026-02-10T11:42:50,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e/struc.xyz' 2026-02-10T11:42:50,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1/struc.xyz' 2026-02-10T11:42:50,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2/struc.xyz' 2026-02-10T11:42:50,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3/struc.xyz' 2026-02-10T11:42:50,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1/struc.xyz' 2026-02-10T11:42:50,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2/struc.xyz' 2026-02-10T11:42:50,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3/struc.xyz' 2026-02-10T11:42:50,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e/struc.xyz' 2026-02-10T11:42:50,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p/struc.xyz' 2026-02-10T11:42:50,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e/struc.xyz' 2026-02-10T11:42:50,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p/struc.xyz' 2026-02-10T11:42:50,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e/struc.xyz' 2026-02-10T11:42:50,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int/struc.xyz' 2026-02-10T11:42:50,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1/struc.xyz' 2026-02-10T11:42:50,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3/struc.xyz' 2026-02-10T11:42:50,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e/struc.xyz' 2026-02-10T11:42:50,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1/struc.xyz' 2026-02-10T11:42:50,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2/struc.xyz' 2026-02-10T11:42:50,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3/struc.xyz' 2026-02-10T11:42:50,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4/struc.xyz' 2026-02-10T11:42:50,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5/struc.xyz' 2026-02-10T11:42:50,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6/struc.xyz' 2026-02-10T11:42:50,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e/struc.xyz' 2026-02-10T11:42:50,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1/struc.xyz' 2026-02-10T11:42:50,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e/struc.xyz' 2026-02-10T11:42:50,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1/struc.xyz' 2026-02-10T11:42:50,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2/struc.xyz' 2026-02-10T11:42:50,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene/struc.xyz' 2026-02-10T11:42:50,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me/struc.xyz' 2026-02-10T11:42:50,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr/struc.xyz' 2026-02-10T11:42:50,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar/struc.xyz' 2026-02-10T11:42:50,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2/struc.xyz' 2026-02-10T11:42:50,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3/struc.xyz' 2026-02-10T11:42:50,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4/struc.xyz' 2026-02-10T11:42:50,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz/struc.xyz' 2026-02-10T11:42:50,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr/struc.xyz' 2026-02-10T11:42:50,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe/struc.xyz' 2026-02-10T11:42:50,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2/struc.xyz' 2026-02-10T11:42:50,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar/struc.xyz' 2026-02-10T11:42:50,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne/struc.xyz' 2026-02-10T11:42:50,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6/struc.xyz' 2026-02-10T11:42:50,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar/struc.xyz' 2026-02-10T11:42:50,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne/struc.xyz' 2026-02-10T11:42:50,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf/struc.xyz' 2026-02-10T11:42:50,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr/struc.xyz' 2026-02-10T11:42:50,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr/struc.xyz' 2026-02-10T11:42:50,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe/struc.xyz' 2026-02-10T11:42:50,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr/struc.xyz' 2026-02-10T11:42:50,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2/struc.xyz' 2026-02-10T11:42:50,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3/struc.xyz' 2026-02-10T11:42:50,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne/struc.xyz' 2026-02-10T11:42:50,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2/struc.xyz' 2026-02-10T11:42:50,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3/struc.xyz' 2026-02-10T11:42:50,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4/struc.xyz' 2026-02-10T11:42:50,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6/struc.xyz' 2026-02-10T11:42:50,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1/struc.xyz' 2026-02-10T11:42:50,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10/struc.xyz' 2026-02-10T11:42:50,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11/struc.xyz' 2026-02-10T11:42:50,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12/struc.xyz' 2026-02-10T11:42:50,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13/struc.xyz' 2026-02-10T11:42:50,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15/struc.xyz' 2026-02-10T11:42:50,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16/struc.xyz' 2026-02-10T11:42:50,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17/struc.xyz' 2026-02-10T11:42:50,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18/struc.xyz' 2026-02-10T11:42:50,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19/struc.xyz' 2026-02-10T11:42:50,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2/struc.xyz' 2026-02-10T11:42:50,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20/struc.xyz' 2026-02-10T11:42:50,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21/struc.xyz' 2026-02-10T11:42:50,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22/struc.xyz' 2026-02-10T11:42:50,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23/struc.xyz' 2026-02-10T11:42:50,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24/struc.xyz' 2026-02-10T11:42:50,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25/struc.xyz' 2026-02-10T11:42:50,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26/struc.xyz' 2026-02-10T11:42:50,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27/struc.xyz' 2026-02-10T11:42:50,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28/struc.xyz' 2026-02-10T11:42:50,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29/struc.xyz' 2026-02-10T11:42:50,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3/struc.xyz' 2026-02-10T11:42:50,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30/struc.xyz' 2026-02-10T11:42:50,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31/struc.xyz' 2026-02-10T11:42:50,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32/struc.xyz' 2026-02-10T11:42:50,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33/struc.xyz' 2026-02-10T11:42:50,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34/struc.xyz' 2026-02-10T11:42:50,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35/struc.xyz' 2026-02-10T11:42:50,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36/struc.xyz' 2026-02-10T11:42:50,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37/struc.xyz' 2026-02-10T11:42:50,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38/struc.xyz' 2026-02-10T11:42:50,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39/struc.xyz' 2026-02-10T11:42:50,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4/struc.xyz' 2026-02-10T11:42:50,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40/struc.xyz' 2026-02-10T11:42:50,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41/struc.xyz' 2026-02-10T11:42:50,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42/struc.xyz' 2026-02-10T11:42:50,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43/struc.xyz' 2026-02-10T11:42:50,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44/struc.xyz' 2026-02-10T11:42:50,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45/struc.xyz' 2026-02-10T11:42:50,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5/struc.xyz' 2026-02-10T11:42:50,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6/struc.xyz' 2026-02-10T11:42:50,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7/struc.xyz' 2026-02-10T11:42:51,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8/struc.xyz' 2026-02-10T11:42:51,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9/struc.xyz' 2026-02-10T11:42:51,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1/struc.xyz' 2026-02-10T11:42:51,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10/struc.xyz' 2026-02-10T11:42:51,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11/struc.xyz' 2026-02-10T11:42:51,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12/struc.xyz' 2026-02-10T11:42:51,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13/struc.xyz' 2026-02-10T11:42:51,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15/struc.xyz' 2026-02-10T11:42:51,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16/struc.xyz' 2026-02-10T11:42:51,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17/struc.xyz' 2026-02-10T11:42:51,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18/struc.xyz' 2026-02-10T11:42:51,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19/struc.xyz' 2026-02-10T11:42:51,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2/struc.xyz' 2026-02-10T11:42:51,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20/struc.xyz' 2026-02-10T11:42:51,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21/struc.xyz' 2026-02-10T11:42:51,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22/struc.xyz' 2026-02-10T11:42:51,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23/struc.xyz' 2026-02-10T11:42:51,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24/struc.xyz' 2026-02-10T11:42:51,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25/struc.xyz' 2026-02-10T11:42:51,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26/struc.xyz' 2026-02-10T11:42:51,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27/struc.xyz' 2026-02-10T11:42:51,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28/struc.xyz' 2026-02-10T11:42:51,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29/struc.xyz' 2026-02-10T11:42:51,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3/struc.xyz' 2026-02-10T11:42:51,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30/struc.xyz' 2026-02-10T11:42:51,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31/struc.xyz' 2026-02-10T11:42:51,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32/struc.xyz' 2026-02-10T11:42:51,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33/struc.xyz' 2026-02-10T11:42:51,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34/struc.xyz' 2026-02-10T11:42:51,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35/struc.xyz' 2026-02-10T11:42:51,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36/struc.xyz' 2026-02-10T11:42:51,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37/struc.xyz' 2026-02-10T11:42:51,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38/struc.xyz' 2026-02-10T11:42:51,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39/struc.xyz' 2026-02-10T11:42:51,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4/struc.xyz' 2026-02-10T11:42:51,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40/struc.xyz' 2026-02-10T11:42:51,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41/struc.xyz' 2026-02-10T11:42:51,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42/struc.xyz' 2026-02-10T11:42:51,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43/struc.xyz' 2026-02-10T11:42:51,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44/struc.xyz' 2026-02-10T11:42:51,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45/struc.xyz' 2026-02-10T11:42:51,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5/struc.xyz' 2026-02-10T11:42:51,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6/struc.xyz' 2026-02-10T11:42:51,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7/struc.xyz' 2026-02-10T11:42:51,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8/struc.xyz' 2026-02-10T11:42:51,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9/struc.xyz' 2026-02-10T11:42:51,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01/struc.xyz' 2026-02-10T11:42:51,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a/struc.xyz' 2026-02-10T11:42:51,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02/struc.xyz' 2026-02-10T11:42:51,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a/struc.xyz' 2026-02-10T11:42:51,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b/struc.xyz' 2026-02-10T11:42:51,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03/struc.xyz' 2026-02-10T11:42:51,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a/struc.xyz' 2026-02-10T11:42:51,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04/struc.xyz' 2026-02-10T11:42:51,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a/struc.xyz' 2026-02-10T11:42:51,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05/struc.xyz' 2026-02-10T11:42:51,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a/struc.xyz' 2026-02-10T11:42:51,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06/struc.xyz' 2026-02-10T11:42:51,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a/struc.xyz' 2026-02-10T11:42:51,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b/struc.xyz' 2026-02-10T11:42:51,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07/struc.xyz' 2026-02-10T11:42:51,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a/struc.xyz' 2026-02-10T11:42:51,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b/struc.xyz' 2026-02-10T11:42:51,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08/struc.xyz' 2026-02-10T11:42:51,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a/struc.xyz' 2026-02-10T11:42:51,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09/struc.xyz' 2026-02-10T11:42:51,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a/struc.xyz' 2026-02-10T11:42:51,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10/struc.xyz' 2026-02-10T11:42:51,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a/struc.xyz' 2026-02-10T11:42:51,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b/struc.xyz' 2026-02-10T11:42:51,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11/struc.xyz' 2026-02-10T11:42:51,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a/struc.xyz' 2026-02-10T11:42:51,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12/struc.xyz' 2026-02-10T11:42:51,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a/struc.xyz' 2026-02-10T11:42:51,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13/struc.xyz' 2026-02-10T11:42:51,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a/struc.xyz' 2026-02-10T11:42:51,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14/struc.xyz' 2026-02-10T11:42:51,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a/struc.xyz' 2026-02-10T11:42:51,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b/struc.xyz' 2026-02-10T11:42:51,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15/struc.xyz' 2026-02-10T11:42:51,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a/struc.xyz' 2026-02-10T11:42:51,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b/struc.xyz' 2026-02-10T11:42:51,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16/struc.xyz' 2026-02-10T11:42:51,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a/struc.xyz' 2026-02-10T11:42:51,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b/struc.xyz' 2026-02-10T11:42:51,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17/struc.xyz' 2026-02-10T11:42:51,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a/struc.xyz' 2026-02-10T11:42:51,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b/struc.xyz' 2026-02-10T11:42:51,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18/struc.xyz' 2026-02-10T11:42:51,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a/struc.xyz' 2026-02-10T11:42:51,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b/struc.xyz' 2026-02-10T11:42:51,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19/struc.xyz' 2026-02-10T11:42:51,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a/struc.xyz' 2026-02-10T11:42:51,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b/struc.xyz' 2026-02-10T11:42:51,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20/struc.xyz' 2026-02-10T11:42:51,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a/struc.xyz' 2026-02-10T11:42:51,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b/struc.xyz' 2026-02-10T11:42:51,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21/struc.xyz' 2026-02-10T11:42:51,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz' 2026-02-10T11:42:51,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b/struc.xyz' 2026-02-10T11:42:51,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22/struc.xyz' 2026-02-10T11:42:51,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a/struc.xyz' 2026-02-10T11:42:51,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b/struc.xyz' 2026-02-10T11:42:51,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01/struc.xyz' 2026-02-10T11:42:51,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A/struc.xyz' 2026-02-10T11:42:51,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B/struc.xyz' 2026-02-10T11:42:51,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02/struc.xyz' 2026-02-10T11:42:51,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A/struc.xyz' 2026-02-10T11:42:51,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B/struc.xyz' 2026-02-10T11:42:51,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03/struc.xyz' 2026-02-10T11:42:51,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A/struc.xyz' 2026-02-10T11:42:51,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B/struc.xyz' 2026-02-10T11:42:51,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04/struc.xyz' 2026-02-10T11:42:51,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A/struc.xyz' 2026-02-10T11:42:51,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B/struc.xyz' 2026-02-10T11:42:51,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05/struc.xyz' 2026-02-10T11:42:51,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A/struc.xyz' 2026-02-10T11:42:51,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B/struc.xyz' 2026-02-10T11:42:51,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06/struc.xyz' 2026-02-10T11:42:51,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A/struc.xyz' 2026-02-10T11:42:51,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B/struc.xyz' 2026-02-10T11:42:51,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07/struc.xyz' 2026-02-10T11:42:51,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A/struc.xyz' 2026-02-10T11:42:51,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B/struc.xyz' 2026-02-10T11:42:51,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08/struc.xyz' 2026-02-10T11:42:51,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A/struc.xyz' 2026-02-10T11:42:51,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B/struc.xyz' 2026-02-10T11:42:51,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09/struc.xyz' 2026-02-10T11:42:51,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A/struc.xyz' 2026-02-10T11:42:51,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B/struc.xyz' 2026-02-10T11:42:51,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10/struc.xyz' 2026-02-10T11:42:51,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A/struc.xyz' 2026-02-10T11:42:51,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B/struc.xyz' 2026-02-10T11:42:51,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11/struc.xyz' 2026-02-10T11:42:51,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A/struc.xyz' 2026-02-10T11:42:51,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B/struc.xyz' 2026-02-10T11:42:51,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12/struc.xyz' 2026-02-10T11:42:51,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A/struc.xyz' 2026-02-10T11:42:51,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B/struc.xyz' 2026-02-10T11:42:51,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13/struc.xyz' 2026-02-10T11:42:51,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A/struc.xyz' 2026-02-10T11:42:51,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B/struc.xyz' 2026-02-10T11:42:51,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14/struc.xyz' 2026-02-10T11:42:51,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A/struc.xyz' 2026-02-10T11:42:51,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B/struc.xyz' 2026-02-10T11:42:51,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz' 2026-02-10T11:42:51,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A/struc.xyz' 2026-02-10T11:42:51,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B/struc.xyz' 2026-02-10T11:42:51,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16/struc.xyz' 2026-02-10T11:42:51,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A/struc.xyz' 2026-02-10T11:42:51,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B/struc.xyz' 2026-02-10T11:42:51,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17/struc.xyz' 2026-02-10T11:42:51,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A/struc.xyz' 2026-02-10T11:42:51,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B/struc.xyz' 2026-02-10T11:42:51,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18/struc.xyz' 2026-02-10T11:42:51,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A/struc.xyz' 2026-02-10T11:42:51,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B/struc.xyz' 2026-02-10T11:42:51,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19/struc.xyz' 2026-02-10T11:42:51,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A/struc.xyz' 2026-02-10T11:42:51,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B/struc.xyz' 2026-02-10T11:42:51,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20/struc.xyz' 2026-02-10T11:42:51,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A/struc.xyz' 2026-02-10T11:42:51,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B/struc.xyz' 2026-02-10T11:42:51,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21/struc.xyz' 2026-02-10T11:42:51,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A/struc.xyz' 2026-02-10T11:42:51,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B/struc.xyz' 2026-02-10T11:42:51,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22/struc.xyz' 2026-02-10T11:42:51,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A/struc.xyz' 2026-02-10T11:42:51,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B/struc.xyz' 2026-02-10T11:42:51,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23/struc.xyz' 2026-02-10T11:42:51,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A/struc.xyz' 2026-02-10T11:42:51,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B/struc.xyz' 2026-02-10T11:42:51,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24/struc.xyz' 2026-02-10T11:42:51,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A/struc.xyz' 2026-02-10T11:42:51,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz' 2026-02-10T11:42:51,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25/struc.xyz' 2026-02-10T11:42:51,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A/struc.xyz' 2026-02-10T11:42:51,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B/struc.xyz' 2026-02-10T11:42:51,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26/struc.xyz' 2026-02-10T11:42:51,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A/struc.xyz' 2026-02-10T11:42:51,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B/struc.xyz' 2026-02-10T11:42:51,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27/struc.xyz' 2026-02-10T11:42:51,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A/struc.xyz' 2026-02-10T11:42:51,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B/struc.xyz' 2026-02-10T11:42:51,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28/struc.xyz' 2026-02-10T11:42:51,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A/struc.xyz' 2026-02-10T11:42:51,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B/struc.xyz' 2026-02-10T11:42:51,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29/struc.xyz' 2026-02-10T11:42:51,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A/struc.xyz' 2026-02-10T11:42:51,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B/struc.xyz' 2026-02-10T11:42:51,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30/struc.xyz' 2026-02-10T11:42:51,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A/struc.xyz' 2026-02-10T11:42:51,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B/struc.xyz' 2026-02-10T11:42:51,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31/struc.xyz' 2026-02-10T11:42:51,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A/struc.xyz' 2026-02-10T11:42:51,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B/struc.xyz' 2026-02-10T11:42:51,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32/struc.xyz' 2026-02-10T11:42:51,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A/struc.xyz' 2026-02-10T11:42:51,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B/struc.xyz' 2026-02-10T11:42:51,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33/struc.xyz' 2026-02-10T11:42:51,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A/struc.xyz' 2026-02-10T11:42:51,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B/struc.xyz' 2026-02-10T11:42:51,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34/struc.xyz' 2026-02-10T11:42:51,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A/struc.xyz' 2026-02-10T11:42:51,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B/struc.xyz' 2026-02-10T11:42:51,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35/struc.xyz' 2026-02-10T11:42:51,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A/struc.xyz' 2026-02-10T11:42:51,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B/struc.xyz' 2026-02-10T11:42:51,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36/struc.xyz' 2026-02-10T11:42:51,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A/struc.xyz' 2026-02-10T11:42:51,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B/struc.xyz' 2026-02-10T11:42:51,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37/struc.xyz' 2026-02-10T11:42:51,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A/struc.xyz' 2026-02-10T11:42:51,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B/struc.xyz' 2026-02-10T11:42:51,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38/struc.xyz' 2026-02-10T11:42:51,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A/struc.xyz' 2026-02-10T11:42:51,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B/struc.xyz' 2026-02-10T11:42:51,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39/struc.xyz' 2026-02-10T11:42:51,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A/struc.xyz' 2026-02-10T11:42:51,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B/struc.xyz' 2026-02-10T11:42:51,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40/struc.xyz' 2026-02-10T11:42:51,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A/struc.xyz' 2026-02-10T11:42:51,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B/struc.xyz' 2026-02-10T11:42:51,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41/struc.xyz' 2026-02-10T11:42:51,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A/struc.xyz' 2026-02-10T11:42:51,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B/struc.xyz' 2026-02-10T11:42:51,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42/struc.xyz' 2026-02-10T11:42:51,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A/struc.xyz' 2026-02-10T11:42:51,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B/struc.xyz' 2026-02-10T11:42:51,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43/struc.xyz' 2026-02-10T11:42:51,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A/struc.xyz' 2026-02-10T11:42:51,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B/struc.xyz' 2026-02-10T11:42:51,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44/struc.xyz' 2026-02-10T11:42:51,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A/struc.xyz' 2026-02-10T11:42:51,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B/struc.xyz' 2026-02-10T11:42:51,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45/struc.xyz' 2026-02-10T11:42:51,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A/struc.xyz' 2026-02-10T11:42:51,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B/struc.xyz' 2026-02-10T11:42:51,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46/struc.xyz' 2026-02-10T11:42:51,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A/struc.xyz' 2026-02-10T11:42:51,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B/struc.xyz' 2026-02-10T11:42:51,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47/struc.xyz' 2026-02-10T11:42:51,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A/struc.xyz' 2026-02-10T11:42:51,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B/struc.xyz' 2026-02-10T11:42:51,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48/struc.xyz' 2026-02-10T11:42:51,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A/struc.xyz' 2026-02-10T11:42:51,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B/struc.xyz' 2026-02-10T11:42:51,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49/struc.xyz' 2026-02-10T11:42:51,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A/struc.xyz' 2026-02-10T11:42:51,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B/struc.xyz' 2026-02-10T11:42:51,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50/struc.xyz' 2026-02-10T11:42:51,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A/struc.xyz' 2026-02-10T11:42:51,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B/struc.xyz' 2026-02-10T11:42:51,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51/struc.xyz' 2026-02-10T11:42:51,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A/struc.xyz' 2026-02-10T11:42:51,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B/struc.xyz' 2026-02-10T11:42:51,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz' 2026-02-10T11:42:51,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A/struc.xyz' 2026-02-10T11:42:51,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B/struc.xyz' 2026-02-10T11:42:51,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53/struc.xyz' 2026-02-10T11:42:51,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A/struc.xyz' 2026-02-10T11:42:51,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B/struc.xyz' 2026-02-10T11:42:51,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54/struc.xyz' 2026-02-10T11:42:51,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A/struc.xyz' 2026-02-10T11:42:51,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B/struc.xyz' 2026-02-10T11:42:51,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55/struc.xyz' 2026-02-10T11:42:51,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A/struc.xyz' 2026-02-10T11:42:51,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B/struc.xyz' 2026-02-10T11:42:51,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56/struc.xyz' 2026-02-10T11:42:51,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A/struc.xyz' 2026-02-10T11:42:51,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B/struc.xyz' 2026-02-10T11:42:51,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57/struc.xyz' 2026-02-10T11:42:51,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A/struc.xyz' 2026-02-10T11:42:51,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B/struc.xyz' 2026-02-10T11:42:51,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58/struc.xyz' 2026-02-10T11:42:51,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A/struc.xyz' 2026-02-10T11:42:51,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B/struc.xyz' 2026-02-10T11:42:51,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59/struc.xyz' 2026-02-10T11:42:51,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A/struc.xyz' 2026-02-10T11:42:51,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B/struc.xyz' 2026-02-10T11:42:51,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60/struc.xyz' 2026-02-10T11:42:51,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A/struc.xyz' 2026-02-10T11:42:51,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B/struc.xyz' 2026-02-10T11:42:51,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61/struc.xyz' 2026-02-10T11:42:51,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A/struc.xyz' 2026-02-10T11:42:51,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B/struc.xyz' 2026-02-10T11:42:51,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62/struc.xyz' 2026-02-10T11:42:51,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A/struc.xyz' 2026-02-10T11:42:51,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B/struc.xyz' 2026-02-10T11:42:51,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63/struc.xyz' 2026-02-10T11:42:51,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A/struc.xyz' 2026-02-10T11:42:51,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B/struc.xyz' 2026-02-10T11:42:51,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64/struc.xyz' 2026-02-10T11:42:51,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A/struc.xyz' 2026-02-10T11:42:51,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B/struc.xyz' 2026-02-10T11:42:51,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65/struc.xyz' 2026-02-10T11:42:51,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A/struc.xyz' 2026-02-10T11:42:51,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B/struc.xyz' 2026-02-10T11:42:51,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66/struc.xyz' 2026-02-10T11:42:51,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A/struc.xyz' 2026-02-10T11:42:51,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B/struc.xyz' 2026-02-10T11:42:51,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1/struc.xyz' 2026-02-10T11:42:51,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10/struc.xyz' 2026-02-10T11:42:51,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11/struc.xyz' 2026-02-10T11:42:51,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12/struc.xyz' 2026-02-10T11:42:51,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13/struc.xyz' 2026-02-10T11:42:51,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14/struc.xyz' 2026-02-10T11:42:51,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15/struc.xyz' 2026-02-10T11:42:51,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2/struc.xyz' 2026-02-10T11:42:51,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3/struc.xyz' 2026-02-10T11:42:51,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4/struc.xyz' 2026-02-10T11:42:51,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5/struc.xyz' 2026-02-10T11:42:51,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6/struc.xyz' 2026-02-10T11:42:51,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7/struc.xyz' 2026-02-10T11:42:51,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8/struc.xyz' 2026-02-10T11:42:51,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9/struc.xyz' 2026-02-10T11:42:51,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1/struc.xyz' 2026-02-10T11:42:51,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2/struc.xyz' 2026-02-10T11:42:51,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3/struc.xyz' 2026-02-10T11:42:51,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4/struc.xyz' 2026-02-10T11:42:51,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h/struc.xyz' 2026-02-10T11:42:51,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz' 2026-02-10T11:42:51,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz' 2026-02-10T11:42:51,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz' 2026-02-10T11:42:51,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz' 2026-02-10T11:42:51,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o/struc.xyz' 2026-02-10T11:42:51,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+/struc.xyz' 2026-02-10T11:42:51,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz' 2026-02-10T11:42:51,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz' 2026-02-10T11:42:51,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz' 2026-02-10T11:42:51,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz' 2026-02-10T11:42:51,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he/struc.xyz' 2026-02-10T11:42:51,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+/struc.xyz' 2026-02-10T11:42:51,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz' 2026-02-10T11:42:51,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz' 2026-02-10T11:42:51,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz' 2026-02-10T11:42:51,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz' 2026-02-10T11:42:51,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3/struc.xyz' 2026-02-10T11:42:51,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+/struc.xyz' 2026-02-10T11:42:51,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz' 2026-02-10T11:42:51,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz' 2026-02-10T11:42:51,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz' 2026-02-10T11:42:51,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz' 2026-02-10T11:42:51,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1/struc.xyz' 2026-02-10T11:42:51,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13/struc.xyz' 2026-02-10T11:42:51,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A/struc.xyz' 2026-02-10T11:42:51,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B/struc.xyz' 2026-02-10T11:42:51,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18/struc.xyz' 2026-02-10T11:42:51,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A/struc.xyz' 2026-02-10T11:42:51,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B/struc.xyz' 2026-02-10T11:42:51,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2/struc.xyz' 2026-02-10T11:42:51,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20/struc.xyz' 2026-02-10T11:42:51,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24/struc.xyz' 2026-02-10T11:42:51,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A/struc.xyz' 2026-02-10T11:42:51,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25/struc.xyz' 2026-02-10T11:42:51,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A/struc.xyz' 2026-02-10T11:42:51,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B/struc.xyz' 2026-02-10T11:42:51,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34/struc.xyz' 2026-02-10T11:42:51,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39/struc.xyz' 2026-02-10T11:42:51,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4/struc.xyz' 2026-02-10T11:42:51,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40/struc.xyz' 2026-02-10T11:42:51,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43/struc.xyz' 2026-02-10T11:42:51,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45/struc.xyz' 2026-02-10T11:42:51,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47/struc.xyz' 2026-02-10T11:42:51,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48/struc.xyz' 2026-02-10T11:42:51,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A/struc.xyz' 2026-02-10T11:42:51,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B/struc.xyz' 2026-02-10T11:42:51,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5/struc.xyz' 2026-02-10T11:42:51,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58/struc.xyz' 2026-02-10T11:42:51,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59/struc.xyz' 2026-02-10T11:42:51,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A/struc.xyz' 2026-02-10T11:42:51,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B/struc.xyz' 2026-02-10T11:42:51,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6/struc.xyz' 2026-02-10T11:42:51,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68/struc.xyz' 2026-02-10T11:42:51,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A/struc.xyz' 2026-02-10T11:42:51,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B/struc.xyz' 2026-02-10T11:42:51,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73/struc.xyz' 2026-02-10T11:42:51,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8/struc.xyz' 2026-02-10T11:42:51,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A/struc.xyz' 2026-02-10T11:42:51,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B/struc.xyz' 2026-02-10T11:42:51,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a/struc.xyz' 2026-02-10T11:42:51,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b/struc.xyz' 2026-02-10T11:42:51,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr/struc.xyz' 2026-02-10T11:42:51,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz' 2026-02-10T11:42:51,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4/struc.xyz' 2026-02-10T11:42:51,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20/struc.xyz' 2026-02-10T11:42:51,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12/struc.xyz' 2026-02-10T11:42:51,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n/struc.xyz' 2026-02-10T11:42:51,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14/struc.xyz' 2026-02-10T11:42:51,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n/struc.xyz' 2026-02-10T11:42:51,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20/struc.xyz' 2026-02-10T11:42:51,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n/struc.xyz' 2026-02-10T11:42:51,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21/struc.xyz' 2026-02-10T11:42:51,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n/struc.xyz' 2026-02-10T11:42:51,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25/struc.xyz' 2026-02-10T11:42:51,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n/struc.xyz' 2026-02-10T11:42:51,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s/struc.xyz' 2026-02-10T11:42:51,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-/struc.xyz' 2026-02-10T11:42:51,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O/struc.xyz' 2026-02-10T11:42:51,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS/struc.xyz' 2026-02-10T11:42:51,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S/struc.xyz' 2026-02-10T11:42:51,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS/struc.xyz' 2026-02-10T11:42:51,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64/struc.xyz' 2026-02-10T11:42:51,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67/struc.xyz' 2026-02-10T11:42:51,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71/struc.xyz' 2026-02-10T11:42:51,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74/struc.xyz' 2026-02-10T11:42:51,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76/struc.xyz' 2026-02-10T11:42:51,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78/struc.xyz' 2026-02-10T11:42:51,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80/struc.xyz' 2026-02-10T11:42:51,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH/struc.xyz' 2026-02-10T11:42:51,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr/struc.xyz' 2026-02-10T11:42:51,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl/struc.xyz' 2026-02-10T11:42:51,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2/struc.xyz' 2026-02-10T11:42:51,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm/struc.xyz' 2026-02-10T11:42:51,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O/struc.xyz' 2026-02-10T11:42:51,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1/struc.xyz' 2026-02-10T11:42:51,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20/struc.xyz' 2026-02-10T11:42:51,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH/struc.xyz' 2026-02-10T11:42:51,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl/struc.xyz' 2026-02-10T11:42:51,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02/struc.xyz' 2026-02-10T11:42:51,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10/struc.xyz' 2026-02-10T11:42:51,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17/struc.xyz' 2026-02-10T11:42:51,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al/struc.xyz' 2026-02-10T11:42:51,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl/struc.xyz' 2026-02-10T11:42:51,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3/struc.xyz' 2026-02-10T11:42:51,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar/struc.xyz' 2026-02-10T11:42:51,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2/struc.xyz' 2026-02-10T11:42:51,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3/struc.xyz' 2026-02-10T11:42:51,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4/struc.xyz' 2026-02-10T11:42:51,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b/struc.xyz' 2026-02-10T11:42:51,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2/struc.xyz' 2026-02-10T11:42:51,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be/struc.xyz' 2026-02-10T11:42:51,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+/struc.xyz' 2026-02-10T11:42:51,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+/struc.xyz' 2026-02-10T11:42:51,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c/struc.xyz' 2026-02-10T11:42:51,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2/struc.xyz' 2026-02-10T11:42:51,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar/struc.xyz' 2026-02-10T11:42:51,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne/struc.xyz' 2026-02-10T11:42:51,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p/struc.xyz' 2026-02-10T11:42:51,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca/struc.xyz' 2026-02-10T11:42:51,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao/struc.xyz' 2026-02-10T11:42:51,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2/struc.xyz' 2026-02-10T11:42:51,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2/struc.xyz' 2026-02-10T11:42:51,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s/struc.xyz' 2026-02-10T11:42:51,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp/struc.xyz' 2026-02-10T11:42:51,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3/struc.xyz' 2026-02-10T11:42:51,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f/struc.xyz' 2026-02-10T11:42:51,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl/struc.xyz' 2026-02-10T11:42:51,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2/struc.xyz' 2026-02-10T11:42:51,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf/struc.xyz' 2026-02-10T11:42:51,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f/struc.xyz' 2026-02-10T11:42:51,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+/struc.xyz' 2026-02-10T11:42:51,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic/struc.xyz' 2026-02-10T11:42:51,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h/struc.xyz' 2026-02-10T11:42:51,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2/struc.xyz' 2026-02-10T11:42:51,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25/struc.xyz' 2026-02-10T11:42:51,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5/struc.xyz' 2026-02-10T11:42:51,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75/struc.xyz' 2026-02-10T11:42:51,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2/struc.xyz' 2026-02-10T11:42:51,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis/struc.xyz' 2026-02-10T11:42:51,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans/struc.xyz' 2026-02-10T11:42:51,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p/struc.xyz' 2026-02-10T11:42:51,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s/struc.xyz' 2026-02-10T11:42:51,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2/struc.xyz' 2026-02-10T11:42:51,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis/struc.xyz' 2026-02-10T11:42:51,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+/struc.xyz' 2026-02-10T11:42:51,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2/struc.xyz' 2026-02-10T11:42:51,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl/struc.xyz' 2026-02-10T11:42:51,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp/struc.xyz' 2026-02-10T11:42:51,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn/struc.xyz' 2026-02-10T11:42:51,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts/struc.xyz' 2026-02-10T11:42:51,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco/struc.xyz' 2026-02-10T11:42:51,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots/struc.xyz' 2026-02-10T11:42:51,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he/struc.xyz' 2026-02-10T11:42:51,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz' 2026-02-10T11:42:51,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf/struc.xyz' 2026-02-10T11:42:51,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr/struc.xyz' 2026-02-10T11:42:51,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe/struc.xyz' 2026-02-10T11:42:51,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts/struc.xyz' 2026-02-10T11:42:51,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2/struc.xyz' 2026-02-10T11:42:51,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts/struc.xyz' 2026-02-10T11:42:51,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc/struc.xyz' 2026-02-10T11:42:51,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn/struc.xyz' 2026-02-10T11:42:51,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo/struc.xyz' 2026-02-10T11:42:51,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k/struc.xyz' 2026-02-10T11:42:51,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf/struc.xyz' 2026-02-10T11:42:51,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr/struc.xyz' 2026-02-10T11:42:51,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2/struc.xyz' 2026-02-10T11:42:51,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3/struc.xyz' 2026-02-10T11:42:51,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg/struc.xyz' 2026-02-10T11:42:51,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+/struc.xyz' 2026-02-10T11:42:51,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs/struc.xyz' 2026-02-10T11:42:51,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne/struc.xyz' 2026-02-10T11:42:51,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3/struc.xyz' 2026-02-10T11:42:51,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4/struc.xyz' 2026-02-10T11:42:51,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz' 2026-02-10T11:42:51,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz' 2026-02-10T11:42:51,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3/struc.xyz' 2026-02-10T11:42:51,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p/struc.xyz' 2026-02-10T11:42:51,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o/struc.xyz' 2026-02-10T11:42:51,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo/struc.xyz' 2026-02-10T11:42:51,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh/struc.xyz' 2026-02-10T11:42:51,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1/struc.xyz' 2026-02-10T11:42:51,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s/struc.xyz' 2026-02-10T11:42:51,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh/struc.xyz' 2026-02-10T11:42:51,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh/struc.xyz' 2026-02-10T11:42:51,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si/struc.xyz' 2026-02-10T11:42:51,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+/struc.xyz' 2026-02-10T11:42:51,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4/struc.xyz' 2026-02-10T11:42:51,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2/struc.xyz' 2026-02-10T11:42:51,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl/struc.xyz' 2026-02-10T11:42:51,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi/struc.xyz' 2026-02-10T11:42:51,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1/struc.xyz' 2026-02-10T11:42:51,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a/struc.xyz' 2026-02-10T11:42:51,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b/struc.xyz' 2026-02-10T11:42:51,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a/struc.xyz' 2026-02-10T11:42:51,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b/struc.xyz' 2026-02-10T11:42:51,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a/struc.xyz' 2026-02-10T11:42:51,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b/struc.xyz' 2026-02-10T11:42:51,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a/struc.xyz' 2026-02-10T11:42:51,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b/struc.xyz' 2026-02-10T11:42:51,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c/struc.xyz' 2026-02-10T11:42:51,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d/struc.xyz' 2026-02-10T11:42:51,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a/struc.xyz' 2026-02-10T11:42:51,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b/struc.xyz' 2026-02-10T11:42:51,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a/struc.xyz' 2026-02-10T11:42:51,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b/struc.xyz' 2026-02-10T11:42:51,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c/struc.xyz' 2026-02-10T11:42:51,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a/struc.xyz' 2026-02-10T11:42:51,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b/struc.xyz' 2026-02-10T11:42:51,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c/struc.xyz' 2026-02-10T11:42:51,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d/struc.xyz' 2026-02-10T11:42:51,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a/struc.xyz' 2026-02-10T11:42:51,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b/struc.xyz' 2026-02-10T11:42:51,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a/struc.xyz' 2026-02-10T11:42:51,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b/struc.xyz' 2026-02-10T11:42:51,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a/struc.xyz' 2026-02-10T11:42:51,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b/struc.xyz' 2026-02-10T11:42:51,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a/struc.xyz' 2026-02-10T11:42:51,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b/struc.xyz' 2026-02-10T11:42:51,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a/struc.xyz' 2026-02-10T11:42:51,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b/struc.xyz' 2026-02-10T11:42:51,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c/struc.xyz' 2026-02-10T11:42:51,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e/struc.xyz' 2026-02-10T11:42:51,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f/struc.xyz' 2026-02-10T11:42:51,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g/struc.xyz' 2026-02-10T11:42:51,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m/struc.xyz' 2026-02-10T11:42:51,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p/struc.xyz' 2026-02-10T11:42:51,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a/struc.xyz' 2026-02-10T11:42:51,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h/struc.xyz' 2026-02-10T11:42:51,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p/struc.xyz' 2026-02-10T11:42:51,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a/struc.xyz' 2026-02-10T11:42:51,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b/struc.xyz' 2026-02-10T11:42:51,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d/struc.xyz' 2026-02-10T11:42:51,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b/struc.xyz' 2026-02-10T11:42:51,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z/struc.xyz' 2026-02-10T11:42:51,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p/struc.xyz' 2026-02-10T11:42:51,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a/struc.xyz' 2026-02-10T11:42:51,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p/struc.xyz' 2026-02-10T11:42:51,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d/struc.xyz' 2026-02-10T11:42:51,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a/struc.xyz' 2026-02-10T11:42:51,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa/struc.xyz' 2026-02-10T11:42:51,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde/struc.xyz' 2026-02-10T11:42:51,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic/struc.xyz' 2026-02-10T11:42:51,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al/struc.xyz' 2026-02-10T11:42:51,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl/struc.xyz' 2026-02-10T11:42:51,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3/struc.xyz' 2026-02-10T11:42:51,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf/struc.xyz' 2026-02-10T11:42:51,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3/struc.xyz' 2026-02-10T11:42:51,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh/struc.xyz' 2026-02-10T11:42:51,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3/struc.xyz' 2026-02-10T11:42:51,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene/struc.xyz' 2026-02-10T11:42:51,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b/struc.xyz' 2026-02-10T11:42:51,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2/struc.xyz' 2026-02-10T11:42:51,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6/struc.xyz' 2026-02-10T11:42:51,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be/struc.xyz' 2026-02-10T11:42:51,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2/struc.xyz' 2026-02-10T11:42:51,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2/struc.xyz' 2026-02-10T11:42:51,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2/struc.xyz' 2026-02-10T11:42:51,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf/struc.xyz' 2026-02-10T11:42:51,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3/struc.xyz' 2026-02-10T11:42:51,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh/struc.xyz' 2026-02-10T11:42:51,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3/struc.xyz' 2026-02-10T11:42:51,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2/struc.xyz' 2026-02-10T11:42:51,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn/struc.xyz' 2026-02-10T11:42:51,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi/struc.xyz' 2026-02-10T11:42:51,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c/struc.xyz' 2026-02-10T11:42:51,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh/struc.xyz' 2026-02-10T11:42:51,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono/struc.xyz' 2026-02-10T11:42:51,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo/struc.xyz' 2026-02-10T11:42:51,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2/struc.xyz' 2026-02-10T11:42:52,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2/struc.xyz' 2026-02-10T11:42:52,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2/struc.xyz' 2026-02-10T11:42:52,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f/struc.xyz' 2026-02-10T11:42:52,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4/struc.xyz' 2026-02-10T11:42:52,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f/struc.xyz' 2026-02-10T11:42:52,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6/struc.xyz' 2026-02-10T11:42:52,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch/struc.xyz' 2026-02-10T11:42:52,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2/struc.xyz' 2026-02-10T11:42:52,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf/struc.xyz' 2026-02-10T11:42:52,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2/struc.xyz' 2026-02-10T11:42:52,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4/struc.xyz' 2026-02-10T11:42:52,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch/struc.xyz' 2026-02-10T11:42:52,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing/struc.xyz' 2026-02-10T11:42:52,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip/struc.xyz' 2026-02-10T11:42:52,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c/struc.xyz' 2026-02-10T11:42:52,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch/struc.xyz' 2026-02-10T11:42:52,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2/struc.xyz' 2026-02-10T11:42:52,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh/struc.xyz' 2026-02-10T11:42:52,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2/struc.xyz' 2026-02-10T11:42:52,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3/struc.xyz' 2026-02-10T11:42:52,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f/struc.xyz' 2026-02-10T11:42:52,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh/struc.xyz' 2026-02-10T11:42:52,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2/struc.xyz' 2026-02-10T11:42:52,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4/struc.xyz' 2026-02-10T11:42:52,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl/struc.xyz' 2026-02-10T11:42:52,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2/struc.xyz' 2026-02-10T11:42:52,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o/struc.xyz' 2026-02-10T11:42:52,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn/struc.xyz' 2026-02-10T11:42:52,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf/struc.xyz' 2026-02-10T11:42:52,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo/struc.xyz' 2026-02-10T11:42:52,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo/struc.xyz' 2026-02-10T11:42:52,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn/struc.xyz' 2026-02-10T11:42:52,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co/struc.xyz' 2026-02-10T11:42:52,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2/struc.xyz' 2026-02-10T11:42:52,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs/struc.xyz' 2026-02-10T11:42:52,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2/struc.xyz' 2026-02-10T11:42:52,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane/struc.xyz' 2026-02-10T11:42:52,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol/struc.xyz' 2026-02-10T11:42:52,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f/struc.xyz' 2026-02-10T11:42:52,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2/struc.xyz' 2026-02-10T11:42:52,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co/struc.xyz' 2026-02-10T11:42:52,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o/struc.xyz' 2026-02-10T11:42:52,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf/struc.xyz' 2026-02-10T11:42:52,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2/struc.xyz' 2026-02-10T11:42:52,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof/struc.xyz' 2026-02-10T11:42:52,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic/struc.xyz' 2026-02-10T11:42:52,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal/struc.xyz' 2026-02-10T11:42:52,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h/struc.xyz' 2026-02-10T11:42:52,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2/struc.xyz' 2026-02-10T11:42:52,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn/struc.xyz' 2026-02-10T11:42:52,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co/struc.xyz' 2026-02-10T11:42:52,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o/struc.xyz' 2026-02-10T11:42:52,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s/struc.xyz' 2026-02-10T11:42:52,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf/struc.xyz' 2026-02-10T11:42:52,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl/struc.xyz' 2026-02-10T11:42:52,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz' 2026-02-10T11:42:52,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh/struc.xyz' 2026-02-10T11:42:52,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno/struc.xyz' 2026-02-10T11:42:52,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco/struc.xyz' 2026-02-10T11:42:52,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof/struc.xyz' 2026-02-10T11:42:52,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf/struc.xyz' 2026-02-10T11:42:52,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc/struc.xyz' 2026-02-10T11:42:52,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco/struc.xyz' 2026-02-10T11:42:52,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn/struc.xyz' 2026-02-10T11:42:52,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno/struc.xyz' 2026-02-10T11:42:52,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl/struc.xyz' 2026-02-10T11:42:52,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn/struc.xyz' 2026-02-10T11:42:52,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof/struc.xyz' 2026-02-10T11:42:52,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc/struc.xyz' 2026-02-10T11:42:52,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo/struc.xyz' 2026-02-10T11:42:52,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh/struc.xyz' 2026-02-10T11:42:52,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs/struc.xyz' 2026-02-10T11:42:52,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene/struc.xyz' 2026-02-10T11:42:52,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol/struc.xyz' 2026-02-10T11:42:52,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n/struc.xyz' 2026-02-10T11:42:52,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2/struc.xyz' 2026-02-10T11:42:52,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h/struc.xyz' 2026-02-10T11:42:52,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4/struc.xyz' 2026-02-10T11:42:52,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o/struc.xyz' 2026-02-10T11:42:52,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn/struc.xyz' 2026-02-10T11:42:52,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh/struc.xyz' 2026-02-10T11:42:52,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2/struc.xyz' 2026-02-10T11:42:52,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl/struc.xyz' 2026-02-10T11:42:52,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3/struc.xyz' 2026-02-10T11:42:52,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no/struc.xyz' 2026-02-10T11:42:52,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2/struc.xyz' 2026-02-10T11:42:52,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o/struc.xyz' 2026-02-10T11:42:52,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2/struc.xyz' 2026-02-10T11:42:52,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3/struc.xyz' 2026-02-10T11:42:52,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo/struc.xyz' 2026-02-10T11:42:52,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs/struc.xyz' 2026-02-10T11:42:52,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of/struc.xyz' 2026-02-10T11:42:52,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh/struc.xyz' 2026-02-10T11:42:52,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane/struc.xyz' 2026-02-10T11:42:52,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene/struc.xyz' 2026-02-10T11:42:52,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p/struc.xyz' 2026-02-10T11:42:52,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2/struc.xyz' 2026-02-10T11:42:52,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4/struc.xyz' 2026-02-10T11:42:52,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3/struc.xyz' 2026-02-10T11:42:52,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane/struc.xyz' 2026-02-10T11:42:52,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene/struc.xyz' 2026-02-10T11:42:52,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne/struc.xyz' 2026-02-10T11:42:52,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s/struc.xyz' 2026-02-10T11:42:52,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2/struc.xyz' 2026-02-10T11:42:52,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o/struc.xyz' 2026-02-10T11:42:52,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3/struc.xyz' 2026-02-10T11:42:52,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v/struc.xyz' 2026-02-10T11:42:52,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si/struc.xyz' 2026-02-10T11:42:52,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6/struc.xyz' 2026-02-10T11:42:52,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif/struc.xyz' 2026-02-10T11:42:52,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4/struc.xyz' 2026-02-10T11:42:52,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih/struc.xyz' 2026-02-10T11:42:52,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f/struc.xyz' 2026-02-10T11:42:52,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4/struc.xyz' 2026-02-10T11:42:52,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio/struc.xyz' 2026-02-10T11:42:52,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so/struc.xyz' 2026-02-10T11:42:52,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2/struc.xyz' 2026-02-10T11:42:52,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3/struc.xyz' 2026-02-10T11:42:52,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh/struc.xyz' 2026-02-10T11:42:52,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh/struc.xyz' 2026-02-10T11:42:52,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono/struc.xyz' 2026-02-10T11:42:52,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo/struc.xyz' 2026-02-10T11:42:52,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2/struc.xyz' 2026-02-10T11:42:52,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O/struc.xyz' 2026-02-10T11:42:52,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2/struc.xyz' 2026-02-10T11:42:52,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20/struc.xyz' 2026-02-10T11:42:52,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es/struc.xyz' 2026-02-10T11:42:52,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc/struc.xyz' 2026-02-10T11:42:52,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs/struc.xyz' 2026-02-10T11:42:52,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3/struc.xyz' 2026-02-10T11:42:52,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4/struc.xyz' 2026-02-10T11:42:52,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5/struc.xyz' 2026-02-10T11:42:52,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6/struc.xyz' 2026-02-10T11:42:52,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b/struc.xyz' 2026-02-10T11:42:52,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c/struc.xyz' 2026-02-10T11:42:52,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2/struc.xyz' 2026-02-10T11:42:52,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d/struc.xyz' 2026-02-10T11:42:52,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4/struc.xyz' 2026-02-10T11:42:52,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op/struc.xyz' 2026-02-10T11:42:52,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O/struc.xyz' 2026-02-10T11:42:52,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2/struc.xyz' 2026-02-10T11:42:52,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3/struc.xyz' 2026-02-10T11:42:52,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz' 2026-02-10T11:42:52,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz' 2026-02-10T11:42:52,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz' 2026-02-10T11:42:52,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm/struc.xyz' 2026-02-10T11:42:52,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O/struc.xyz' 2026-02-10T11:42:52,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2/struc.xyz' 2026-02-10T11:42:52,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3/struc.xyz' 2026-02-10T11:42:52,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz' 2026-02-10T11:42:52,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz' 2026-02-10T11:42:52,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5/struc.xyz' 2026-02-10T11:42:52,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6/struc.xyz' 2026-02-10T11:42:52,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o/struc.xyz' 2026-02-10T11:42:52,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1/struc.xyz' 2026-02-10T11:42:52,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2/struc.xyz' 2026-02-10T11:42:52,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3/struc.xyz' 2026-02-10T11:42:52,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4/struc.xyz' 2026-02-10T11:42:52,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5/struc.xyz' 2026-02-10T11:42:52,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6/struc.xyz' 2026-02-10T11:42:52,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7/struc.xyz' 2026-02-10T11:42:52,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8/struc.xyz' 2026-02-10T11:42:52,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9/struc.xyz' 2026-02-10T11:42:52,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1/struc.xyz' 2026-02-10T11:42:52,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o/struc.xyz' 2026-02-10T11:42:52,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2/struc.xyz' 2026-02-10T11:42:52,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o/struc.xyz' 2026-02-10T11:42:52,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3/struc.xyz' 2026-02-10T11:42:52,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o/struc.xyz' 2026-02-10T11:42:52,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4/struc.xyz' 2026-02-10T11:42:52,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o/struc.xyz' 2026-02-10T11:42:52,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5/struc.xyz' 2026-02-10T11:42:52,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o/struc.xyz' 2026-02-10T11:42:52,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6/struc.xyz' 2026-02-10T11:42:52,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o/struc.xyz' 2026-02-10T11:42:52,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7/struc.xyz' 2026-02-10T11:42:52,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o/struc.xyz' 2026-02-10T11:42:52,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8/struc.xyz' 2026-02-10T11:42:52,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o/struc.xyz' 2026-02-10T11:42:52,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9/struc.xyz' 2026-02-10T11:42:52,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o/struc.xyz' 2026-02-10T11:42:52,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22/struc.xyz' 2026-02-10T11:42:52,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2/struc.xyz' 2026-02-10T11:42:52,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s/struc.xyz' 2026-02-10T11:42:52,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz' 2026-02-10T11:42:52,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2/struc.xyz' 2026-02-10T11:42:52,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s/struc.xyz' 2026-02-10T11:42:52,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz' 2026-02-10T11:42:52,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2/struc.xyz' 2026-02-10T11:42:52,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s/struc.xyz' 2026-02-10T11:42:52,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz' 2026-02-10T11:42:52,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2/struc.xyz' 2026-02-10T11:42:52,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3/struc.xyz' 2026-02-10T11:42:52,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz' 2026-02-10T11:42:52,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2/struc.xyz' 2026-02-10T11:42:52,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3/struc.xyz' 2026-02-10T11:42:52,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz' 2026-02-10T11:42:52,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2/struc.xyz' 2026-02-10T11:42:52,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3/struc.xyz' 2026-02-10T11:42:52,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz' 2026-02-10T11:42:52,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2/struc.xyz' 2026-02-10T11:42:52,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3/struc.xyz' 2026-02-10T11:42:52,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz' 2026-02-10T11:42:52,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2/struc.xyz' 2026-02-10T11:42:52,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3/struc.xyz' 2026-02-10T11:42:52,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz' 2026-02-10T11:42:52,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2/struc.xyz' 2026-02-10T11:42:52,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3/struc.xyz' 2026-02-10T11:42:52,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz' 2026-02-10T11:42:52,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2/struc.xyz' 2026-02-10T11:42:52,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt' 2026-02-10T11:42:52,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt' 2026-02-10T11:42:52,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt' 2026-02-10T11:42:52,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt' 2026-02-10T11:42:52,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt' 2026-02-10T11:42:52,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt' 2026-02-10T11:42:52,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt' 2026-02-10T11:42:52,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt' 2026-02-10T11:42:52,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt' 2026-02-10T11:42:52,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt' 2026-02-10T11:42:52,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt' 2026-02-10T11:42:52,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt' 2026-02-10T11:42:52,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt' 2026-02-10T11:42:52,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt' 2026-02-10T11:42:52,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt' 2026-02-10T11:42:52,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt' 2026-02-10T11:42:52,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt' 2026-02-10T11:42:52,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt' 2026-02-10T11:42:52,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt' 2026-02-10T11:42:52,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt' 2026-02-10T11:42:52,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt' 2026-02-10T11:42:52,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt' 2026-02-10T11:42:52,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt' 2026-02-10T11:42:52,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt' 2026-02-10T11:42:52,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt' 2026-02-10T11:42:52,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt' 2026-02-10T11:42:52,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt' 2026-02-10T11:42:52,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt' 2026-02-10T11:42:52,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt' 2026-02-10T11:42:52,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt' 2026-02-10T11:42:52,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt' 2026-02-10T11:42:52,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt' 2026-02-10T11:42:52,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt' 2026-02-10T11:42:52,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt' 2026-02-10T11:42:52,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt' 2026-02-10T11:42:52,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt' 2026-02-10T11:42:52,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt' 2026-02-10T11:42:52,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt' 2026-02-10T11:42:52,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt' 2026-02-10T11:42:52,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt' 2026-02-10T11:42:52,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt' 2026-02-10T11:42:52,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt' 2026-02-10T11:42:52,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76.txt' 2026-02-10T11:42:52,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt' 2026-02-10T11:42:52,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt' 2026-02-10T11:42:52,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt' 2026-02-10T11:42:52,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt' 2026-02-10T11:42:52,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt' 2026-02-10T11:42:52,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt' 2026-02-10T11:42:52,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DC13.txt' 2026-02-10T11:42:52,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt' 2026-02-10T11:42:52,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_FH51.txt' 2026-02-10T11:42:52,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt' 2026-02-10T11:42:52,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt' 2026-02-10T11:42:52,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt' 2026-02-10T11:42:52,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt' 2026-02-10T11:42:52,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt' 2026-02-10T11:42:52,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt' 2026-02-10T11:42:52,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_IL16.txt' 2026-02-10T11:42:52,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt' 2026-02-10T11:42:52,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt' 2026-02-10T11:42:52,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PA26.txt' 2026-02-10T11:42:52,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt' 2026-02-10T11:42:52,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PX13.txt' 2026-02-10T11:42:52,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RC21.txt' 2026-02-10T11:42:52,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RG18.txt' 2026-02-10T11:42:52,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt' 2026-02-10T11:42:52,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_S66.txt' 2026-02-10T11:42:52,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt' 2026-02-10T11:42:52,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt' 2026-02-10T11:42:52,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt' 2026-02-10T11:42:52,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt' 2026-02-10T11:42:52,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt' 2026-02-10T11:42:52,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt' 2026-02-10T11:42:52,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G/struc.xyz' 2026-02-10T11:42:52,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T/struc.xyz' 2026-02-10T11:42:52,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-/struc.xyz' 2026-02-10T11:42:52,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-/struc.xyz' 2026-02-10T11:42:52,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+/struc.xyz' 2026-02-10T11:42:52,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg/struc.xyz' 2026-02-10T11:42:52,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg/struc.xyz' 2026-02-10T11:42:52,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt/struc.xyz' 2026-02-10T11:42:52,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-/struc.xyz' 2026-02-10T11:42:52,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg/struc.xyz' 2026-02-10T11:42:52,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt/struc.xyz' 2026-02-10T11:42:52,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt/struc.xyz' 2026-02-10T11:42:52,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-/struc.xyz' 2026-02-10T11:42:52,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+/struc.xyz' 2026-02-10T11:42:52,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz' 2026-02-10T11:42:52,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX/struc.xyz' 2026-02-10T11:42:52,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG/struc.xyz' 2026-02-10T11:42:52,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT/struc.xyz' 2026-02-10T11:42:52,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2/struc.xyz' 2026-02-10T11:42:52,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3/struc.xyz' 2026-02-10T11:42:52,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4/struc.xyz' 2026-02-10T11:42:52,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5/struc.xyz' 2026-02-10T11:42:52,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6/struc.xyz' 2026-02-10T11:42:52,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7/struc.xyz' 2026-02-10T11:42:52,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2/struc.xyz' 2026-02-10T11:42:52,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3/struc.xyz' 2026-02-10T11:42:52,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4/struc.xyz' 2026-02-10T11:42:52,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5/struc.xyz' 2026-02-10T11:42:52,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6/struc.xyz' 2026-02-10T11:42:52,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7/struc.xyz' 2026-02-10T11:42:52,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1/struc.xyz' 2026-02-10T11:42:52,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10/struc.xyz' 2026-02-10T11:42:52,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A/struc.xyz' 2026-02-10T11:42:52,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B/struc.xyz' 2026-02-10T11:42:52,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11/struc.xyz' 2026-02-10T11:42:52,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A/struc.xyz' 2026-02-10T11:42:52,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B/struc.xyz' 2026-02-10T11:42:52,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12/struc.xyz' 2026-02-10T11:42:52,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A/struc.xyz' 2026-02-10T11:42:52,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B/struc.xyz' 2026-02-10T11:42:52,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13/struc.xyz' 2026-02-10T11:42:52,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A/struc.xyz' 2026-02-10T11:42:52,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B/struc.xyz' 2026-02-10T11:42:52,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14/struc.xyz' 2026-02-10T11:42:52,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A/struc.xyz' 2026-02-10T11:42:52,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B/struc.xyz' 2026-02-10T11:42:52,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz' 2026-02-10T11:42:52,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A/struc.xyz' 2026-02-10T11:42:52,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B/struc.xyz' 2026-02-10T11:42:52,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16/struc.xyz' 2026-02-10T11:42:52,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A/struc.xyz' 2026-02-10T11:42:52,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B/struc.xyz' 2026-02-10T11:42:52,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17/struc.xyz' 2026-02-10T11:42:52,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A/struc.xyz' 2026-02-10T11:42:52,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B/struc.xyz' 2026-02-10T11:42:52,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18/struc.xyz' 2026-02-10T11:42:52,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A/struc.xyz' 2026-02-10T11:42:52,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B/struc.xyz' 2026-02-10T11:42:52,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19/struc.xyz' 2026-02-10T11:42:52,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A/struc.xyz' 2026-02-10T11:42:52,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B/struc.xyz' 2026-02-10T11:42:52,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A/struc.xyz' 2026-02-10T11:42:52,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B/struc.xyz' 2026-02-10T11:42:52,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2/struc.xyz' 2026-02-10T11:42:52,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20/struc.xyz' 2026-02-10T11:42:52,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A/struc.xyz' 2026-02-10T11:42:52,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B/struc.xyz' 2026-02-10T11:42:52,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21/struc.xyz' 2026-02-10T11:42:52,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A/struc.xyz' 2026-02-10T11:42:52,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B/struc.xyz' 2026-02-10T11:42:52,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A/struc.xyz' 2026-02-10T11:42:52,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B/struc.xyz' 2026-02-10T11:42:52,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3/struc.xyz' 2026-02-10T11:42:52,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A/struc.xyz' 2026-02-10T11:42:52,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B/struc.xyz' 2026-02-10T11:42:52,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4/struc.xyz' 2026-02-10T11:42:52,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A/struc.xyz' 2026-02-10T11:42:52,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B/struc.xyz' 2026-02-10T11:42:52,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5/struc.xyz' 2026-02-10T11:42:52,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A/struc.xyz' 2026-02-10T11:42:52,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B/struc.xyz' 2026-02-10T11:42:52,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6/struc.xyz' 2026-02-10T11:42:52,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A/struc.xyz' 2026-02-10T11:42:52,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B/struc.xyz' 2026-02-10T11:42:52,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7/struc.xyz' 2026-02-10T11:42:52,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A/struc.xyz' 2026-02-10T11:42:52,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B/struc.xyz' 2026-02-10T11:42:52,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8/struc.xyz' 2026-02-10T11:42:52,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A/struc.xyz' 2026-02-10T11:42:52,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B/struc.xyz' 2026-02-10T11:42:52,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9/struc.xyz' 2026-02-10T11:42:52,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A/struc.xyz' 2026-02-10T11:42:52,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B/struc.xyz' 2026-02-10T11:42:52,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6/struc.xyz' 2026-02-10T11:42:52,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6/struc.xyz' 2026-02-10T11:42:52,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6/struc.xyz' 2026-02-10T11:42:52,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4/struc.xyz' 2026-02-10T11:42:52,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5/struc.xyz' 2026-02-10T11:42:52,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6/struc.xyz' 2026-02-10T11:42:52,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3/struc.xyz' 2026-02-10T11:42:52,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3/struc.xyz' 2026-02-10T11:42:52,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3/struc.xyz' 2026-02-10T11:42:52,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2/struc.xyz' 2026-02-10T11:42:52,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3/struc.xyz' 2026-02-10T11:42:52,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+/struc.xyz' 2026-02-10T11:42:52,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2/struc.xyz' 2026-02-10T11:42:52,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz' 2026-02-10T11:42:52,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4/struc.xyz' 2026-02-10T11:42:52,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me/struc.xyz' 2026-02-10T11:42:52,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c/struc.xyz' 2026-02-10T11:42:52,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4/struc.xyz' 2026-02-10T11:42:52,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch/struc.xyz' 2026-02-10T11:42:52,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8/struc.xyz' 2026-02-10T11:42:52,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n/struc.xyz' 2026-02-10T11:42:52,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h/struc.xyz' 2026-02-10T11:42:52,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me/struc.xyz' 2026-02-10T11:42:52,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2/struc.xyz' 2026-02-10T11:42:52,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+/struc.xyz' 2026-02-10T11:42:52,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2/struc.xyz' 2026-02-10T11:42:52,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2/struc.xyz' 2026-02-10T11:42:52,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8/struc.xyz' 2026-02-10T11:42:52,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be/struc.xyz' 2026-02-10T11:42:52,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef/struc.xyz' 2026-02-10T11:42:52,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo/struc.xyz' 2026-02-10T11:42:52,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca/struc.xyz' 2026-02-10T11:42:52,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao/struc.xyz' 2026-02-10T11:42:52,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f/struc.xyz' 2026-02-10T11:42:52,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h/struc.xyz' 2026-02-10T11:42:52,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf/struc.xyz' 2026-02-10T11:42:52,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k/struc.xyz' 2026-02-10T11:42:52,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf/struc.xyz' 2026-02-10T11:42:52,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li/struc.xyz' 2026-02-10T11:42:52,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif/struc.xyz' 2026-02-10T11:42:52,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio/struc.xyz' 2026-02-10T11:42:52,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg/struc.xyz' 2026-02-10T11:42:52,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo/struc.xyz' 2026-02-10T11:42:52,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs/struc.xyz' 2026-02-10T11:42:52,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na/struc.xyz' 2026-02-10T11:42:52,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao/struc.xyz' 2026-02-10T11:42:52,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o/struc.xyz' 2026-02-10T11:42:52,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s/struc.xyz' 2026-02-10T11:42:52,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab/struc.xyz' 2026-02-10T11:42:52,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac/struc.xyz' 2026-02-10T11:42:52,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag/struc.xyz' 2026-02-10T11:42:52,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai/struc.xyz' 2026-02-10T11:42:52,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak/struc.xyz' 2026-02-10T11:42:52,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak/struc.xyz' 2026-02-10T11:42:52,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz' 2026-02-10T11:42:52,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz' 2026-02-10T11:42:52,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby/struc.xyz' 2026-02-10T11:42:52,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci/struc.xyz' 2026-02-10T11:42:52,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab/struc.xyz' 2026-02-10T11:42:52,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae/struc.xyz' 2026-02-10T11:42:52,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz' 2026-02-10T11:42:52,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah/struc.xyz' 2026-02-10T11:42:52,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz' 2026-02-10T11:42:52,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad/struc.xyz' 2026-02-10T11:42:52,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau/struc.xyz' 2026-02-10T11:42:52,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay/struc.xyz' 2026-02-10T11:42:52,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz' 2026-02-10T11:42:52,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz' 2026-02-10T11:42:52,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag/struc.xyz' 2026-02-10T11:42:52,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah/struc.xyz' 2026-02-10T11:42:52,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai/struc.xyz' 2026-02-10T11:42:52,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal/struc.xyz' 2026-02-10T11:42:52,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao/struc.xyz' 2026-02-10T11:42:52,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai/struc.xyz' 2026-02-10T11:42:52,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal/struc.xyz' 2026-02-10T11:42:52,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan/struc.xyz' 2026-02-10T11:42:52,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap/struc.xyz' 2026-02-10T11:42:52,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat/struc.xyz' 2026-02-10T11:42:52,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad/struc.xyz' 2026-02-10T11:42:52,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal/struc.xyz' 2026-02-10T11:42:52,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar/struc.xyz' 2026-02-10T11:42:52,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav/struc.xyz' 2026-02-10T11:42:52,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz' 2026-02-10T11:42:52,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab/struc.xyz' 2026-02-10T11:42:52,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac/struc.xyz' 2026-02-10T11:42:52,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad/struc.xyz' 2026-02-10T11:42:52,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae/struc.xyz' 2026-02-10T11:42:52,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag/struc.xyz' 2026-02-10T11:42:52,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah/struc.xyz' 2026-02-10T11:42:52,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam/struc.xyz' 2026-02-10T11:42:52,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz' 2026-02-10T11:42:52,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau/struc.xyz' 2026-02-10T11:42:52,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav/struc.xyz' 2026-02-10T11:42:52,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae/struc.xyz' 2026-02-10T11:42:52,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag/struc.xyz' 2026-02-10T11:42:52,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz' 2026-02-10T11:42:52,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak/struc.xyz' 2026-02-10T11:42:52,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz' 2026-02-10T11:42:52,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad/struc.xyz' 2026-02-10T11:42:52,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae/struc.xyz' 2026-02-10T11:42:52,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap/struc.xyz' 2026-02-10T11:42:52,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz' 2026-02-10T11:42:52,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz' 2026-02-10T11:42:52,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan/struc.xyz' 2026-02-10T11:42:52,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao/struc.xyz' 2026-02-10T11:42:52,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap/struc.xyz' 2026-02-10T11:42:52,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas/struc.xyz' 2026-02-10T11:42:52,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat/struc.xyz' 2026-02-10T11:42:52,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag/struc.xyz' 2026-02-10T11:42:52,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav/struc.xyz' 2026-02-10T11:42:52,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf/struc.xyz' 2026-02-10T11:42:52,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm/struc.xyz' 2026-02-10T11:42:52,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo/struc.xyz' 2026-02-10T11:42:52,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab/struc.xyz' 2026-02-10T11:42:52,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal/struc.xyz' 2026-02-10T11:42:52,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan/struc.xyz' 2026-02-10T11:42:52,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar/struc.xyz' 2026-02-10T11:42:52,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz' 2026-02-10T11:42:52,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab/struc.xyz' 2026-02-10T11:42:52,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac/struc.xyz' 2026-02-10T11:42:52,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad/struc.xyz' 2026-02-10T11:42:52,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae/struc.xyz' 2026-02-10T11:42:52,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz' 2026-02-10T11:42:52,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad/struc.xyz' 2026-02-10T11:42:52,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf/struc.xyz' 2026-02-10T11:42:52,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah/struc.xyz' 2026-02-10T11:42:52,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak/struc.xyz' 2026-02-10T11:42:52,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar/struc.xyz' 2026-02-10T11:42:52,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab/struc.xyz' 2026-02-10T11:42:52,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag/struc.xyz' 2026-02-10T11:42:52,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah/struc.xyz' 2026-02-10T11:42:52,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal/struc.xyz' 2026-02-10T11:42:52,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq/struc.xyz' 2026-02-10T11:42:52,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac/struc.xyz' 2026-02-10T11:42:52,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz' 2026-02-10T11:42:52,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag/struc.xyz' 2026-02-10T11:42:52,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah/struc.xyz' 2026-02-10T11:42:52,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao/struc.xyz' 2026-02-10T11:42:52,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab/struc.xyz' 2026-02-10T11:42:52,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag/struc.xyz' 2026-02-10T11:42:52,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah/struc.xyz' 2026-02-10T11:42:52,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan/struc.xyz' 2026-02-10T11:42:52,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar/struc.xyz' 2026-02-10T11:42:52,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad/struc.xyz' 2026-02-10T11:42:52,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz' 2026-02-10T11:42:52,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah/struc.xyz' 2026-02-10T11:42:52,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz' 2026-02-10T11:42:52,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak/struc.xyz' 2026-02-10T11:42:52,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5/struc.xyz' 2026-02-10T11:42:52,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6/struc.xyz' 2026-02-10T11:42:52,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8/struc.xyz' 2026-02-10T11:42:52,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH/struc.xyz' 2026-02-10T11:42:52,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4/struc.xyz' 2026-02-10T11:42:52,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2/struc.xyz' 2026-02-10T11:42:52,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O/struc.xyz' 2026-02-10T11:42:52,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S/struc.xyz' 2026-02-10T11:42:52,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS/struc.xyz' 2026-02-10T11:42:52,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H/struc.xyz' 2026-02-10T11:42:52,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2/struc.xyz' 2026-02-10T11:42:52,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH/struc.xyz' 2026-02-10T11:42:52,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2/struc.xyz' 2026-02-10T11:42:52,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3/struc.xyz' 2026-02-10T11:42:52,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O/struc.xyz' 2026-02-10T11:42:52,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2/struc.xyz' 2026-02-10T11:42:52,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3/struc.xyz' 2026-02-10T11:42:52,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01/struc.xyz' 2026-02-10T11:42:52,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02/struc.xyz' 2026-02-10T11:42:52,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03/struc.xyz' 2026-02-10T11:42:52,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04/struc.xyz' 2026-02-10T11:42:52,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05/struc.xyz' 2026-02-10T11:42:52,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06/struc.xyz' 2026-02-10T11:42:52,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07/struc.xyz' 2026-02-10T11:42:52,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08/struc.xyz' 2026-02-10T11:42:52,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09/struc.xyz' 2026-02-10T11:42:52,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10/struc.xyz' 2026-02-10T11:42:52,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11/struc.xyz' 2026-02-10T11:42:52,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12/struc.xyz' 2026-02-10T11:42:52,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13/struc.xyz' 2026-02-10T11:42:52,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14/struc.xyz' 2026-02-10T11:42:52,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15/struc.xyz' 2026-02-10T11:42:52,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16/struc.xyz' 2026-02-10T11:42:52,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17/struc.xyz' 2026-02-10T11:42:52,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18/struc.xyz' 2026-02-10T11:42:52,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19/struc.xyz' 2026-02-10T11:42:52,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20/struc.xyz' 2026-02-10T11:42:52,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21/struc.xyz' 2026-02-10T11:42:52,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22/struc.xyz' 2026-02-10T11:42:52,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4/struc.xyz' 2026-02-10T11:42:52,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5/struc.xyz' 2026-02-10T11:42:52,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts/struc.xyz' 2026-02-10T11:42:52,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7/struc.xyz' 2026-02-10T11:42:52,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts/struc.xyz' 2026-02-10T11:42:52,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3/struc.xyz' 2026-02-10T11:42:52,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl/struc.xyz' 2026-02-10T11:42:52,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f/struc.xyz' 2026-02-10T11:42:52,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts/struc.xyz' 2026-02-10T11:42:52,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh/struc.xyz' 2026-02-10T11:42:52,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl/struc.xyz' 2026-02-10T11:42:52,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-/struc.xyz' 2026-02-10T11:42:52,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp/struc.xyz' 2026-02-10T11:42:52,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts/struc.xyz' 2026-02-10T11:42:52,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf/struc.xyz' 2026-02-10T11:42:52,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co/struc.xyz' 2026-02-10T11:42:52,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f/struc.xyz' 2026-02-10T11:42:52,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-/struc.xyz' 2026-02-10T11:42:52,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2/struc.xyz' 2026-02-10T11:42:52,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1/struc.xyz' 2026-02-10T11:42:52,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2/struc.xyz' 2026-02-10T11:42:52,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz' 2026-02-10T11:42:52,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp/struc.xyz' 2026-02-10T11:42:52,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts/struc.xyz' 2026-02-10T11:42:52,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h/struc.xyz' 2026-02-10T11:42:52,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts/struc.xyz' 2026-02-10T11:42:52,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl/struc.xyz' 2026-02-10T11:42:52,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts/struc.xyz' 2026-02-10T11:42:52,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn/struc.xyz' 2026-02-10T11:42:52,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts/struc.xyz' 2026-02-10T11:42:52,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco/struc.xyz' 2026-02-10T11:42:52,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots/struc.xyz' 2026-02-10T11:42:52,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf/struc.xyz' 2026-02-10T11:42:52,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts/struc.xyz' 2026-02-10T11:42:52,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts/struc.xyz' 2026-02-10T11:42:52,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts/struc.xyz' 2026-02-10T11:42:52,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2/struc.xyz' 2026-02-10T11:42:52,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts/struc.xyz' 2026-02-10T11:42:52,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc/struc.xyz' 2026-02-10T11:42:52,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1/struc.xyz' 2026-02-10T11:42:52,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2/struc.xyz' 2026-02-10T11:42:52,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts/struc.xyz' 2026-02-10T11:42:53,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2/struc.xyz' 2026-02-10T11:42:53,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o/struc.xyz' 2026-02-10T11:42:53,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts/struc.xyz' 2026-02-10T11:42:53,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh/struc.xyz' 2026-02-10T11:42:53,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-/struc.xyz' 2026-02-10T11:42:53,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5/struc.xyz' 2026-02-10T11:42:53,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6/struc.xyz' 2026-02-10T11:42:53,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8/struc.xyz' 2026-02-10T11:42:53,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH/struc.xyz' 2026-02-10T11:42:53,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4/struc.xyz' 2026-02-10T11:42:53,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2/struc.xyz' 2026-02-10T11:42:53,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O/struc.xyz' 2026-02-10T11:42:53,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S/struc.xyz' 2026-02-10T11:42:53,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS/struc.xyz' 2026-02-10T11:42:53,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H/struc.xyz' 2026-02-10T11:42:53,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2/struc.xyz' 2026-02-10T11:42:53,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH/struc.xyz' 2026-02-10T11:42:53,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2/struc.xyz' 2026-02-10T11:42:53,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3/struc.xyz' 2026-02-10T11:42:53,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O/struc.xyz' 2026-02-10T11:42:53,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2/struc.xyz' 2026-02-10T11:42:53,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3/struc.xyz' 2026-02-10T11:42:53,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01/struc.xyz' 2026-02-10T11:42:53,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02/struc.xyz' 2026-02-10T11:42:53,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03/struc.xyz' 2026-02-10T11:42:53,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04/struc.xyz' 2026-02-10T11:42:53,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05/struc.xyz' 2026-02-10T11:42:53,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06/struc.xyz' 2026-02-10T11:42:53,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07/struc.xyz' 2026-02-10T11:42:53,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08/struc.xyz' 2026-02-10T11:42:53,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09/struc.xyz' 2026-02-10T11:42:53,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10/struc.xyz' 2026-02-10T11:42:53,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11/struc.xyz' 2026-02-10T11:42:53,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12/struc.xyz' 2026-02-10T11:42:53,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13/struc.xyz' 2026-02-10T11:42:53,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14/struc.xyz' 2026-02-10T11:42:53,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15/struc.xyz' 2026-02-10T11:42:53,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16/struc.xyz' 2026-02-10T11:42:53,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17/struc.xyz' 2026-02-10T11:42:53,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18/struc.xyz' 2026-02-10T11:42:53,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19/struc.xyz' 2026-02-10T11:42:53,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20/struc.xyz' 2026-02-10T11:42:53,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21/struc.xyz' 2026-02-10T11:42:53,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22/struc.xyz' 2026-02-10T11:42:53,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4/struc.xyz' 2026-02-10T11:42:53,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5/struc.xyz' 2026-02-10T11:42:53,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts/struc.xyz' 2026-02-10T11:42:53,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7/struc.xyz' 2026-02-10T11:42:53,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts/struc.xyz' 2026-02-10T11:42:53,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3/struc.xyz' 2026-02-10T11:42:53,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl/struc.xyz' 2026-02-10T11:42:53,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f/struc.xyz' 2026-02-10T11:42:53,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts/struc.xyz' 2026-02-10T11:42:53,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh/struc.xyz' 2026-02-10T11:42:53,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl/struc.xyz' 2026-02-10T11:42:53,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-/struc.xyz' 2026-02-10T11:42:53,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp/struc.xyz' 2026-02-10T11:42:53,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts/struc.xyz' 2026-02-10T11:42:53,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf/struc.xyz' 2026-02-10T11:42:53,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co/struc.xyz' 2026-02-10T11:42:53,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f/struc.xyz' 2026-02-10T11:42:53,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-/struc.xyz' 2026-02-10T11:42:53,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2/struc.xyz' 2026-02-10T11:42:53,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz' 2026-02-10T11:42:53,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz' 2026-02-10T11:42:53,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts/struc.xyz' 2026-02-10T11:42:53,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp/struc.xyz' 2026-02-10T11:42:53,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts/struc.xyz' 2026-02-10T11:42:53,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h/struc.xyz' 2026-02-10T11:42:53,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts/struc.xyz' 2026-02-10T11:42:53,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl/struc.xyz' 2026-02-10T11:42:53,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts/struc.xyz' 2026-02-10T11:42:53,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn/struc.xyz' 2026-02-10T11:42:53,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts/struc.xyz' 2026-02-10T11:42:53,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco/struc.xyz' 2026-02-10T11:42:53,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots/struc.xyz' 2026-02-10T11:42:53,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf/struc.xyz' 2026-02-10T11:42:53,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts/struc.xyz' 2026-02-10T11:42:53,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts/struc.xyz' 2026-02-10T11:42:53,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts/struc.xyz' 2026-02-10T11:42:53,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2/struc.xyz' 2026-02-10T11:42:53,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts/struc.xyz' 2026-02-10T11:42:53,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc/struc.xyz' 2026-02-10T11:42:53,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz' 2026-02-10T11:42:53,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz' 2026-02-10T11:42:53,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts/struc.xyz' 2026-02-10T11:42:53,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2/struc.xyz' 2026-02-10T11:42:53,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o/struc.xyz' 2026-02-10T11:42:53,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts/struc.xyz' 2026-02-10T11:42:53,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh/struc.xyz' 2026-02-10T11:42:53,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-/struc.xyz' 2026-02-10T11:42:53,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1/struc.xyz' 2026-02-10T11:42:53,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10/struc.xyz' 2026-02-10T11:42:53,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2/struc.xyz' 2026-02-10T11:42:53,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3/struc.xyz' 2026-02-10T11:42:53,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4/struc.xyz' 2026-02-10T11:42:53,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5/struc.xyz' 2026-02-10T11:42:53,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6/struc.xyz' 2026-02-10T11:42:53,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7/struc.xyz' 2026-02-10T11:42:53,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8/struc.xyz' 2026-02-10T11:42:53,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9/struc.xyz' 2026-02-10T11:42:53,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1/struc.xyz' 2026-02-10T11:42:53,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10/struc.xyz' 2026-02-10T11:42:53,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2/struc.xyz' 2026-02-10T11:42:53,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3/struc.xyz' 2026-02-10T11:42:53,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4/struc.xyz' 2026-02-10T11:42:53,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5/struc.xyz' 2026-02-10T11:42:53,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6/struc.xyz' 2026-02-10T11:42:53,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7/struc.xyz' 2026-02-10T11:42:53,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8/struc.xyz' 2026-02-10T11:42:53,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9/struc.xyz' 2026-02-10T11:42:53,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r/struc.xyz' 2026-02-10T11:42:53,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r/struc.xyz' 2026-02-10T11:42:53,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts/struc.xyz' 2026-02-10T11:42:53,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r/struc.xyz' 2026-02-10T11:42:53,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts/struc.xyz' 2026-02-10T11:42:53,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r/struc.xyz' 2026-02-10T11:42:53,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts/struc.xyz' 2026-02-10T11:42:53,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r/struc.xyz' 2026-02-10T11:42:53,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts/struc.xyz' 2026-02-10T11:42:53,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r/struc.xyz' 2026-02-10T11:42:53,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts/struc.xyz' 2026-02-10T11:42:53,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts/struc.xyz' 2026-02-10T11:42:53,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r/struc.xyz' 2026-02-10T11:42:53,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts/struc.xyz' 2026-02-10T11:42:53,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts/struc.xyz' 2026-02-10T11:42:53,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r/struc.xyz' 2026-02-10T11:42:53,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts/struc.xyz' 2026-02-10T11:42:53,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz' 2026-02-10T11:42:53,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz' 2026-02-10T11:42:53,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz' 2026-02-10T11:42:53,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz' 2026-02-10T11:42:53,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz' 2026-02-10T11:42:53,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4/struc.xyz' 2026-02-10T11:42:53,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1/struc.xyz' 2026-02-10T11:42:53,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2/struc.xyz' 2026-02-10T11:42:53,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3/struc.xyz' 2026-02-10T11:42:53,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4/struc.xyz' 2026-02-10T11:42:53,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5/struc.xyz' 2026-02-10T11:42:53,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6/struc.xyz' 2026-02-10T11:42:53,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7/struc.xyz' 2026-02-10T11:42:53,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8/struc.xyz' 2026-02-10T11:42:53,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9/struc.xyz' 2026-02-10T11:42:53,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a/struc.xyz' 2026-02-10T11:42:53,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a/struc.xyz' 2026-02-10T11:42:53,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a/struc.xyz' 2026-02-10T11:42:53,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a/struc.xyz' 2026-02-10T11:42:53,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a/struc.xyz' 2026-02-10T11:42:53,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a/struc.xyz' 2026-02-10T11:42:53,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a/struc.xyz' 2026-02-10T11:42:53,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a/struc.xyz' 2026-02-10T11:42:53,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a/struc.xyz' 2026-02-10T11:42:53,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz' 2026-02-10T11:42:53,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz' 2026-02-10T11:42:53,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene/struc.xyz' 2026-02-10T11:42:53,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene/struc.xyz' 2026-02-10T11:42:53,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz' 2026-02-10T11:42:53,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene/struc.xyz' 2026-02-10T11:42:53,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene/struc.xyz' 2026-02-10T11:42:53,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1/struc.xyz' 2026-02-10T11:42:53,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10/struc.xyz' 2026-02-10T11:42:53,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11/struc.xyz' 2026-02-10T11:42:53,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2/struc.xyz' 2026-02-10T11:42:53,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3/struc.xyz' 2026-02-10T11:42:53,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4/struc.xyz' 2026-02-10T11:42:53,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5/struc.xyz' 2026-02-10T11:42:53,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6/struc.xyz' 2026-02-10T11:42:53,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7/struc.xyz' 2026-02-10T11:42:53,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8/struc.xyz' 2026-02-10T11:42:53,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9/struc.xyz' 2026-02-10T11:42:53,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz' 2026-02-10T11:42:53,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz' 2026-02-10T11:42:53,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC/struc.xyz' 2026-02-10T11:42:53,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz' 2026-02-10T11:42:53,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz' 2026-02-10T11:42:53,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS/struc.xyz' 2026-02-10T11:42:53,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti/struc.xyz' 2026-02-10T11:42:53,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn/struc.xyz' 2026-02-10T11:42:53,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl/struc.xyz' 2026-02-10T11:42:53,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz' 2026-02-10T11:42:53,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz' 2026-02-10T11:42:53,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz' 2026-02-10T11:42:53,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz' 2026-02-10T11:42:53,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS/struc.xyz' 2026-02-10T11:42:53,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis/struc.xyz' 2026-02-10T11:42:53,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans/struc.xyz' 2026-02-10T11:42:53,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl/struc.xyz' 2026-02-10T11:42:53,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st/struc.xyz' 2026-02-10T11:42:53,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz' 2026-02-10T11:42:53,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz' 2026-02-10T11:42:53,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz' 2026-02-10T11:42:53,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz' 2026-02-10T11:42:53,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2/struc.xyz' 2026-02-10T11:42:53,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis/struc.xyz' 2026-02-10T11:42:53,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans/struc.xyz' 2026-02-10T11:42:53,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2/struc.xyz' 2026-02-10T11:42:53,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis/struc.xyz' 2026-02-10T11:42:53,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans/struc.xyz' 2026-02-10T11:42:53,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl/struc.xyz' 2026-02-10T11:42:53,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st/struc.xyz' 2026-02-10T11:42:53,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz' 2026-02-10T11:42:53,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st/struc.xyz' 2026-02-10T11:42:53,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz' 2026-02-10T11:42:53,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz' 2026-02-10T11:42:53,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1/struc.xyz' 2026-02-10T11:42:53,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz' 2026-02-10T11:42:53,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz' 2026-02-10T11:42:53,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz' 2026-02-10T11:42:53,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0/struc.xyz' 2026-02-10T11:42:53,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120/struc.xyz' 2026-02-10T11:42:53,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180/struc.xyz' 2026-02-10T11:42:53,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60/struc.xyz' 2026-02-10T11:42:53,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1/struc.xyz' 2026-02-10T11:42:53,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2/struc.xyz' 2026-02-10T11:42:53,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6/struc.xyz' 2026-02-10T11:42:53,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3/struc.xyz' 2026-02-10T11:42:53,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4/struc.xyz' 2026-02-10T11:42:53,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5/struc.xyz' 2026-02-10T11:42:53,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4/struc.xyz' 2026-02-10T11:42:53,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1/struc.xyz' 2026-02-10T11:42:53,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10/struc.xyz' 2026-02-10T11:42:53,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11/struc.xyz' 2026-02-10T11:42:53,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12/struc.xyz' 2026-02-10T11:42:53,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13/struc.xyz' 2026-02-10T11:42:53,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14/struc.xyz' 2026-02-10T11:42:53,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15/struc.xyz' 2026-02-10T11:42:53,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2/struc.xyz' 2026-02-10T11:42:53,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3/struc.xyz' 2026-02-10T11:42:53,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4/struc.xyz' 2026-02-10T11:42:53,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5/struc.xyz' 2026-02-10T11:42:53,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6/struc.xyz' 2026-02-10T11:42:53,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7/struc.xyz' 2026-02-10T11:42:53,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8/struc.xyz' 2026-02-10T11:42:53,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9/struc.xyz' 2026-02-10T11:42:53,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1/struc.xyz' 2026-02-10T11:42:53,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10/struc.xyz' 2026-02-10T11:42:53,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11/struc.xyz' 2026-02-10T11:42:53,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12/struc.xyz' 2026-02-10T11:42:53,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13/struc.xyz' 2026-02-10T11:42:53,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14/struc.xyz' 2026-02-10T11:42:53,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15/struc.xyz' 2026-02-10T11:42:53,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16/struc.xyz' 2026-02-10T11:42:53,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2/struc.xyz' 2026-02-10T11:42:53,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3/struc.xyz' 2026-02-10T11:42:53,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4/struc.xyz' 2026-02-10T11:42:53,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5/struc.xyz' 2026-02-10T11:42:53,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6/struc.xyz' 2026-02-10T11:42:53,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7/struc.xyz' 2026-02-10T11:42:53,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8/struc.xyz' 2026-02-10T11:42:53,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9/struc.xyz' 2026-02-10T11:42:53,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1/struc.xyz' 2026-02-10T11:42:53,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10/struc.xyz' 2026-02-10T11:42:53,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11/struc.xyz' 2026-02-10T11:42:53,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12/struc.xyz' 2026-02-10T11:42:53,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13/struc.xyz' 2026-02-10T11:42:53,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14/struc.xyz' 2026-02-10T11:42:53,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15/struc.xyz' 2026-02-10T11:42:53,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16/struc.xyz' 2026-02-10T11:42:53,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17/struc.xyz' 2026-02-10T11:42:53,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18/struc.xyz' 2026-02-10T11:42:53,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19/struc.xyz' 2026-02-10T11:42:53,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2/struc.xyz' 2026-02-10T11:42:53,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20/struc.xyz' 2026-02-10T11:42:53,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21/struc.xyz' 2026-02-10T11:42:53,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22/struc.xyz' 2026-02-10T11:42:53,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23/struc.xyz' 2026-02-10T11:42:53,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24/struc.xyz' 2026-02-10T11:42:53,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25/struc.xyz' 2026-02-10T11:42:53,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26/struc.xyz' 2026-02-10T11:42:53,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27/struc.xyz' 2026-02-10T11:42:53,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28/struc.xyz' 2026-02-10T11:42:53,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29/struc.xyz' 2026-02-10T11:42:53,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3/struc.xyz' 2026-02-10T11:42:53,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30/struc.xyz' 2026-02-10T11:42:53,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31/struc.xyz' 2026-02-10T11:42:53,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32/struc.xyz' 2026-02-10T11:42:53,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33/struc.xyz' 2026-02-10T11:42:53,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34/struc.xyz' 2026-02-10T11:42:53,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35/struc.xyz' 2026-02-10T11:42:53,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36/struc.xyz' 2026-02-10T11:42:53,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37/struc.xyz' 2026-02-10T11:42:53,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38/struc.xyz' 2026-02-10T11:42:53,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39/struc.xyz' 2026-02-10T11:42:53,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4/struc.xyz' 2026-02-10T11:42:53,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40/struc.xyz' 2026-02-10T11:42:53,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41/struc.xyz' 2026-02-10T11:42:53,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42/struc.xyz' 2026-02-10T11:42:53,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43/struc.xyz' 2026-02-10T11:42:53,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44/struc.xyz' 2026-02-10T11:42:53,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45/struc.xyz' 2026-02-10T11:42:53,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46/struc.xyz' 2026-02-10T11:42:53,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47/struc.xyz' 2026-02-10T11:42:53,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48/struc.xyz' 2026-02-10T11:42:53,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49/struc.xyz' 2026-02-10T11:42:53,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5/struc.xyz' 2026-02-10T11:42:53,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50/struc.xyz' 2026-02-10T11:42:53,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51/struc.xyz' 2026-02-10T11:42:53,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52/struc.xyz' 2026-02-10T11:42:53,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53/struc.xyz' 2026-02-10T11:42:53,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54/struc.xyz' 2026-02-10T11:42:53,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55/struc.xyz' 2026-02-10T11:42:53,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56/struc.xyz' 2026-02-10T11:42:53,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57/struc.xyz' 2026-02-10T11:42:53,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58/struc.xyz' 2026-02-10T11:42:53,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59/struc.xyz' 2026-02-10T11:42:53,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6/struc.xyz' 2026-02-10T11:42:53,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60/struc.xyz' 2026-02-10T11:42:53,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61/struc.xyz' 2026-02-10T11:42:53,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62/struc.xyz' 2026-02-10T11:42:53,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63/struc.xyz' 2026-02-10T11:42:53,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64/struc.xyz' 2026-02-10T11:42:53,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65/struc.xyz' 2026-02-10T11:42:53,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7/struc.xyz' 2026-02-10T11:42:53,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8/struc.xyz' 2026-02-10T11:42:53,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9/struc.xyz' 2026-02-10T11:42:53,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1/struc.xyz' 2026-02-10T11:42:53,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10/struc.xyz' 2026-02-10T11:42:53,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2/struc.xyz' 2026-02-10T11:42:53,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3/struc.xyz' 2026-02-10T11:42:53,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4/struc.xyz' 2026-02-10T11:42:53,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5/struc.xyz' 2026-02-10T11:42:53,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6/struc.xyz' 2026-02-10T11:42:53,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7/struc.xyz' 2026-02-10T11:42:53,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8/struc.xyz' 2026-02-10T11:42:53,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9/struc.xyz' 2026-02-10T11:42:53,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL/struc.xyz' 2026-02-10T11:42:53,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A/struc.xyz' 2026-02-10T11:42:53,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B/struc.xyz' 2026-02-10T11:42:53,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N/struc.xyz' 2026-02-10T11:42:53,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A/struc.xyz' 2026-02-10T11:42:53,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B/struc.xyz' 2026-02-10T11:42:53,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O/struc.xyz' 2026-02-10T11:42:53,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A/struc.xyz' 2026-02-10T11:42:53,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B/struc.xyz' 2026-02-10T11:42:53,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL/struc.xyz' 2026-02-10T11:42:53,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A/struc.xyz' 2026-02-10T11:42:53,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B/struc.xyz' 2026-02-10T11:42:53,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N/struc.xyz' 2026-02-10T11:42:53,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A/struc.xyz' 2026-02-10T11:42:53,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B/struc.xyz' 2026-02-10T11:42:53,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O/struc.xyz' 2026-02-10T11:42:53,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A/struc.xyz' 2026-02-10T11:42:53,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B/struc.xyz' 2026-02-10T11:42:53,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL/struc.xyz' 2026-02-10T11:42:53,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A/struc.xyz' 2026-02-10T11:42:53,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B/struc.xyz' 2026-02-10T11:42:53,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N/struc.xyz' 2026-02-10T11:42:53,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A/struc.xyz' 2026-02-10T11:42:53,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B/struc.xyz' 2026-02-10T11:42:53,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O/struc.xyz' 2026-02-10T11:42:53,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A/struc.xyz' 2026-02-10T11:42:53,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B/struc.xyz' 2026-02-10T11:42:53,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL/struc.xyz' 2026-02-10T11:42:53,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A/struc.xyz' 2026-02-10T11:42:53,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B/struc.xyz' 2026-02-10T11:42:53,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N/struc.xyz' 2026-02-10T11:42:53,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A/struc.xyz' 2026-02-10T11:42:53,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B/struc.xyz' 2026-02-10T11:42:53,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O/struc.xyz' 2026-02-10T11:42:53,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A/struc.xyz' 2026-02-10T11:42:53,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B/struc.xyz' 2026-02-10T11:42:53,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20/struc.xyz' 2026-02-10T11:42:53,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22/struc.xyz' 2026-02-10T11:42:53,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25/struc.xyz' 2026-02-10T11:42:53,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26/struc.xyz' 2026-02-10T11:42:53,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40/struc.xyz' 2026-02-10T11:42:53,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43/struc.xyz' 2026-02-10T11:42:53,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44/struc.xyz' 2026-02-10T11:42:53,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45/struc.xyz' 2026-02-10T11:42:53,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46/struc.xyz' 2026-02-10T11:42:53,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47/struc.xyz' 2026-02-10T11:42:53,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48/struc.xyz' 2026-02-10T11:42:53,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49/struc.xyz' 2026-02-10T11:42:53,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51/struc.xyz' 2026-02-10T11:42:53,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52/struc.xyz' 2026-02-10T11:42:53,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56/struc.xyz' 2026-02-10T11:42:53,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60/struc.xyz' 2026-02-10T11:42:53,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20/struc.xyz' 2026-02-10T11:42:53,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21/struc.xyz' 2026-02-10T11:42:53,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22/struc.xyz' 2026-02-10T11:42:53,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25/struc.xyz' 2026-02-10T11:42:53,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26/struc.xyz' 2026-02-10T11:42:53,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28/struc.xyz' 2026-02-10T11:42:53,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29/struc.xyz' 2026-02-10T11:42:53,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40/struc.xyz' 2026-02-10T11:42:53,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43/struc.xyz' 2026-02-10T11:42:53,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44/struc.xyz' 2026-02-10T11:42:53,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45/struc.xyz' 2026-02-10T11:42:53,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46/struc.xyz' 2026-02-10T11:42:53,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47/struc.xyz' 2026-02-10T11:42:53,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48/struc.xyz' 2026-02-10T11:42:53,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz' 2026-02-10T11:42:53,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51/struc.xyz' 2026-02-10T11:42:53,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52/struc.xyz' 2026-02-10T11:42:53,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56/struc.xyz' 2026-02-10T11:42:53,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57/struc.xyz' 2026-02-10T11:42:53,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60/struc.xyz' 2026-02-10T11:42:53,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22/struc.xyz' 2026-02-10T11:42:53,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A/struc.xyz' 2026-02-10T11:42:53,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B/struc.xyz' 2026-02-10T11:42:53,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23/struc.xyz' 2026-02-10T11:42:53,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A/struc.xyz' 2026-02-10T11:42:53,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B/struc.xyz' 2026-02-10T11:42:53,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24/struc.xyz' 2026-02-10T11:42:53,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A/struc.xyz' 2026-02-10T11:42:53,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B/struc.xyz' 2026-02-10T11:42:53,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25/struc.xyz' 2026-02-10T11:42:53,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A/struc.xyz' 2026-02-10T11:42:53,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B/struc.xyz' 2026-02-10T11:42:53,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26/struc.xyz' 2026-02-10T11:42:53,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A/struc.xyz' 2026-02-10T11:42:53,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B/struc.xyz' 2026-02-10T11:42:53,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27/struc.xyz' 2026-02-10T11:42:53,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A/struc.xyz' 2026-02-10T11:42:53,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B/struc.xyz' 2026-02-10T11:42:53,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1/struc.xyz' 2026-02-10T11:42:53,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10/struc.xyz' 2026-02-10T11:42:53,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X/struc.xyz' 2026-02-10T11:42:53,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2/struc.xyz' 2026-02-10T11:42:53,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3/struc.xyz' 2026-02-10T11:42:53,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4/struc.xyz' 2026-02-10T11:42:53,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5/struc.xyz' 2026-02-10T11:42:53,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6/struc.xyz' 2026-02-10T11:42:53,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7/struc.xyz' 2026-02-10T11:42:53,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X/struc.xyz' 2026-02-10T11:42:53,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8/struc.xyz' 2026-02-10T11:42:53,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X/struc.xyz' 2026-02-10T11:42:53,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9/struc.xyz' 2026-02-10T11:42:53,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X/struc.xyz' 2026-02-10T11:42:53,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene/struc.xyz' 2026-02-10T11:42:53,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene/struc.xyz' 2026-02-10T11:42:53,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene/struc.xyz' 2026-02-10T11:42:53,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene/struc.xyz' 2026-02-10T11:42:53,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine/struc.xyz' 2026-02-10T11:42:53,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz' 2026-02-10T11:42:53,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein/struc.xyz' 2026-02-10T11:42:53,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH/struc.xyz' 2026-02-10T11:42:53,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip/struc.xyz' 2026-02-10T11:42:53,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6/struc.xyz' 2026-02-10T11:42:53,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6/struc.xyz' 2026-02-10T11:42:53,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2/struc.xyz' 2026-02-10T11:42:53,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL/struc.xyz' 2026-02-10T11:42:53,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz' 2026-02-10T11:42:53,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz' 2026-02-10T11:42:53,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35/struc.xyz' 2026-02-10T11:42:53,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36/struc.xyz' 2026-02-10T11:42:53,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35/struc.xyz' 2026-02-10T11:42:53,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36/struc.xyz' 2026-02-10T11:42:53,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be/struc.xyz' 2026-02-10T11:42:53,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4/struc.xyz' 2026-02-10T11:42:53,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl/struc.xyz' 2026-02-10T11:42:53,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage/struc.xyz' 2026-02-10T11:42:53,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2/struc.xyz' 2026-02-10T11:42:53,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4/struc.xyz' 2026-02-10T11:42:53,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1/struc.xyz' 2026-02-10T11:42:53,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2/struc.xyz' 2026-02-10T11:42:53,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2/struc.xyz' 2026-02-10T11:42:53,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen/struc.xyz' 2026-02-10T11:42:53,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene/struc.xyz' 2026-02-10T11:42:53,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne/struc.xyz' 2026-02-10T11:42:53,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3/struc.xyz' 2026-02-10T11:42:53,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add/struc.xyz' 2026-02-10T11:42:53,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add/struc.xyz' 2026-02-10T11:42:53,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb/struc.xyz' 2026-02-10T11:42:53,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2/struc.xyz' 2026-02-10T11:42:53,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8/struc.xyz' 2026-02-10T11:42:53,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen/struc.xyz' 2026-02-10T11:42:53,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be/struc.xyz' 2026-02-10T11:42:53,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+/struc.xyz' 2026-02-10T11:42:53,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4/struc.xyz' 2026-02-10T11:42:53,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz' 2026-02-10T11:42:53,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6/struc.xyz' 2026-02-10T11:42:53,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz' 2026-02-10T11:42:53,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4/struc.xyz' 2026-02-10T11:42:53,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz' 2026-02-10T11:42:53,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o/struc.xyz' 2026-02-10T11:42:53,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz' 2026-02-10T11:42:53,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s/struc.xyz' 2026-02-10T11:42:53,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+/struc.xyz' 2026-02-10T11:42:53,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg/struc.xyz' 2026-02-10T11:42:53,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+/struc.xyz' 2026-02-10T11:42:53,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2/struc.xyz' 2026-02-10T11:42:53,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz' 2026-02-10T11:42:53,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3/struc.xyz' 2026-02-10T11:42:53,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+/struc.xyz' 2026-02-10T11:42:53,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3/struc.xyz' 2026-02-10T11:42:53,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+/struc.xyz' 2026-02-10T11:42:53,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene/struc.xyz' 2026-02-10T11:42:53,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene/struc.xyz' 2026-02-10T11:42:53,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne/struc.xyz' 2026-02-10T11:42:53,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne/struc.xyz' 2026-02-10T11:42:53,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene/struc.xyz' 2026-02-10T11:42:53,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane/struc.xyz' 2026-02-10T11:42:53,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2/struc.xyz' 2026-02-10T11:42:53,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz' 2026-02-10T11:42:53,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz' 2026-02-10T11:42:53,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz' 2026-02-10T11:42:53,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H/struc.xyz' 2026-02-10T11:42:53,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2/struc.xyz' 2026-02-10T11:42:53,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2/struc.xyz' 2026-02-10T11:42:53,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO/struc.xyz' 2026-02-10T11:42:53,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN/struc.xyz' 2026-02-10T11:42:53,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz' 2026-02-10T11:42:53,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H/struc.xyz' 2026-02-10T11:42:53,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz' 2026-02-10T11:42:53,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO/struc.xyz' 2026-02-10T11:42:53,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2/struc.xyz' 2026-02-10T11:42:53,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH/struc.xyz' 2026-02-10T11:42:53,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2/struc.xyz' 2026-02-10T11:42:53,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO/struc.xyz' 2026-02-10T11:42:53,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H/struc.xyz' 2026-02-10T11:42:53,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO/struc.xyz' 2026-02-10T11:42:53,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2/struc.xyz' 2026-02-10T11:42:53,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz' 2026-02-10T11:42:53,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2/struc.xyz' 2026-02-10T11:42:53,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO/struc.xyz' 2026-02-10T11:42:53,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H/struc.xyz' 2026-02-10T11:42:53,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H/struc.xyz' 2026-02-10T11:42:53,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O/struc.xyz' 2026-02-10T11:42:53,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO/struc.xyz' 2026-02-10T11:42:53,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2/struc.xyz' 2026-02-10T11:42:53,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2/struc.xyz' 2026-02-10T11:42:53,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz' 2026-02-10T11:42:53,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2/struc.xyz' 2026-02-10T11:42:53,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2/struc.xyz' 2026-02-10T11:42:53,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz' 2026-02-10T11:42:53,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO/struc.xyz' 2026-02-10T11:42:53,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O/struc.xyz' 2026-02-10T11:42:53,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2/struc.xyz' 2026-02-10T11:42:53,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S/struc.xyz' 2026-02-10T11:42:53,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN/struc.xyz' 2026-02-10T11:42:53,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11/struc.xyz' 2026-02-10T11:42:53,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz' 2026-02-10T11:42:53,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl/struc.xyz' 2026-02-10T11:42:53,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene/struc.xyz' 2026-02-10T11:42:53,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3/struc.xyz' 2026-02-10T11:42:53,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2/struc.xyz' 2026-02-10T11:42:53,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2/struc.xyz' 2026-02-10T11:42:53,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz' 2026-02-10T11:42:53,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol/struc.xyz' 2026-02-10T11:42:53,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene/struc.xyz' 2026-02-10T11:42:53,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine/struc.xyz' 2026-02-10T11:42:53,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane/struc.xyz' 2026-02-10T11:42:53,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane/struc.xyz' 2026-02-10T11:42:53,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane/struc.xyz' 2026-02-10T11:42:53,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole/struc.xyz' 2026-02-10T11:42:53,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz' 2026-02-10T11:42:53,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene/struc.xyz' 2026-02-10T11:42:53,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz' 2026-02-10T11:42:53,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne/struc.xyz' 2026-02-10T11:42:53,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione/struc.xyz' 2026-02-10T11:42:53,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne/struc.xyz' 2026-02-10T11:42:53,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol/struc.xyz' 2026-02-10T11:42:53,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz' 2026-02-10T11:42:53,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz' 2026-02-10T11:42:53,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz' 2026-02-10T11:42:53,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane/struc.xyz' 2026-02-10T11:42:53,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran/struc.xyz' 2026-02-10T11:42:53,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole/struc.xyz' 2026-02-10T11:42:53,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole/struc.xyz' 2026-02-10T11:42:53,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine/struc.xyz' 2026-02-10T11:42:53,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole/struc.xyz' 2026-02-10T11:42:53,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane/struc.xyz' 2026-02-10T11:42:53,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane/struc.xyz' 2026-02-10T11:42:53,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane/struc.xyz' 2026-02-10T11:42:53,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene/struc.xyz' 2026-02-10T11:42:53,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol/struc.xyz' 2026-02-10T11:42:53,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol/struc.xyz' 2026-02-10T11:42:53,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran/struc.xyz' 2026-02-10T11:42:53,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane/struc.xyz' 2026-02-10T11:42:53,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene/struc.xyz' 2026-02-10T11:42:53,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane/struc.xyz' 2026-02-10T11:42:53,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene/struc.xyz' 2026-02-10T11:42:53,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene/struc.xyz' 2026-02-10T11:42:53,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10/struc.xyz' 2026-02-10T11:42:53,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n/struc.xyz' 2026-02-10T11:42:53,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11/struc.xyz' 2026-02-10T11:42:53,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n/struc.xyz' 2026-02-10T11:42:53,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12/struc.xyz' 2026-02-10T11:42:53,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n/struc.xyz' 2026-02-10T11:42:53,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13/struc.xyz' 2026-02-10T11:42:53,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n/struc.xyz' 2026-02-10T11:42:53,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14/struc.xyz' 2026-02-10T11:42:53,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n/struc.xyz' 2026-02-10T11:42:53,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15/struc.xyz' 2026-02-10T11:42:53,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n/struc.xyz' 2026-02-10T11:42:53,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16/struc.xyz' 2026-02-10T11:42:53,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n/struc.xyz' 2026-02-10T11:42:53,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17/struc.xyz' 2026-02-10T11:42:53,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n/struc.xyz' 2026-02-10T11:42:53,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18/struc.xyz' 2026-02-10T11:42:53,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n/struc.xyz' 2026-02-10T11:42:53,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19/struc.xyz' 2026-02-10T11:42:53,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n/struc.xyz' 2026-02-10T11:42:54,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20/struc.xyz' 2026-02-10T11:42:54,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n/struc.xyz' 2026-02-10T11:42:54,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21/struc.xyz' 2026-02-10T11:42:54,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n/struc.xyz' 2026-02-10T11:42:54,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22/struc.xyz' 2026-02-10T11:42:54,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n/struc.xyz' 2026-02-10T11:42:54,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23/struc.xyz' 2026-02-10T11:42:54,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n/struc.xyz' 2026-02-10T11:42:54,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24/struc.xyz' 2026-02-10T11:42:54,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n/struc.xyz' 2026-02-10T11:42:54,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25/struc.xyz' 2026-02-10T11:42:54,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n/struc.xyz' 2026-02-10T11:42:54,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8/struc.xyz' 2026-02-10T11:42:54,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n/struc.xyz' 2026-02-10T11:42:54,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9/struc.xyz' 2026-02-10T11:42:54,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n/struc.xyz' 2026-02-10T11:42:54,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c/struc.xyz' 2026-02-10T11:42:54,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-/struc.xyz' 2026-02-10T11:42:54,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl/struc.xyz' 2026-02-10T11:42:54,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-/struc.xyz' 2026-02-10T11:42:54,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f/struc.xyz' 2026-02-10T11:42:54,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-/struc.xyz' 2026-02-10T11:42:54,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o/struc.xyz' 2026-02-10T11:42:54,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-/struc.xyz' 2026-02-10T11:42:54,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p/struc.xyz' 2026-02-10T11:42:54,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-/struc.xyz' 2026-02-10T11:42:54,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s/struc.xyz' 2026-02-10T11:42:54,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-/struc.xyz' 2026-02-10T11:42:54,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si/struc.xyz' 2026-02-10T11:42:54,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-/struc.xyz' 2026-02-10T11:42:54,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11/struc.xyz' 2026-02-10T11:42:54,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12/struc.xyz' 2026-02-10T11:42:54,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13/struc.xyz' 2026-02-10T11:42:54,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137/struc.xyz' 2026-02-10T11:42:54,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14/struc.xyz' 2026-02-10T11:42:54,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18/struc.xyz' 2026-02-10T11:42:54,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19/struc.xyz' 2026-02-10T11:42:54,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20/struc.xyz' 2026-02-10T11:42:54,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22/struc.xyz' 2026-02-10T11:42:54,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25/struc.xyz' 2026-02-10T11:42:54,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26/struc.xyz' 2026-02-10T11:42:54,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30/struc.xyz' 2026-02-10T11:42:54,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34/struc.xyz' 2026-02-10T11:42:54,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37/struc.xyz' 2026-02-10T11:42:54,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43/struc.xyz' 2026-02-10T11:42:54,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44/struc.xyz' 2026-02-10T11:42:54,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45/struc.xyz' 2026-02-10T11:42:54,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48/struc.xyz' 2026-02-10T11:42:54,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51/struc.xyz' 2026-02-10T11:42:54,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8/struc.xyz' 2026-02-10T11:42:54,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59/struc.xyz' 2026-02-10T11:42:54,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60/struc.xyz' 2026-02-10T11:42:54,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61/struc.xyz' 2026-02-10T11:42:54,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62/struc.xyz' 2026-02-10T11:42:54,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63/struc.xyz' 2026-02-10T11:42:54,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64/struc.xyz' 2026-02-10T11:42:54,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65/struc.xyz' 2026-02-10T11:42:54,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66/struc.xyz' 2026-02-10T11:42:54,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67/struc.xyz' 2026-02-10T11:42:54,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68/struc.xyz' 2026-02-10T11:42:54,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70/struc.xyz' 2026-02-10T11:42:54,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71/struc.xyz' 2026-02-10T11:42:54,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72/struc.xyz' 2026-02-10T11:42:54,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73/struc.xyz' 2026-02-10T11:42:54,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74/struc.xyz' 2026-02-10T11:42:54,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75/struc.xyz' 2026-02-10T11:42:54,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76/struc.xyz' 2026-02-10T11:42:54,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77/struc.xyz' 2026-02-10T11:42:54,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78/struc.xyz' 2026-02-10T11:42:54,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79/struc.xyz' 2026-02-10T11:42:54,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80/struc.xyz' 2026-02-10T11:42:54,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65/struc.xyz' 2026-02-10T11:42:54,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al/struc.xyz' 2026-02-10T11:42:54,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+/struc.xyz' 2026-02-10T11:42:54,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b/struc.xyz' 2026-02-10T11:42:54,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+/struc.xyz' 2026-02-10T11:42:54,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be/struc.xyz' 2026-02-10T11:42:54,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+/struc.xyz' 2026-02-10T11:42:54,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c/struc.xyz' 2026-02-10T11:42:54,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+/struc.xyz' 2026-02-10T11:42:54,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl/struc.xyz' 2026-02-10T11:42:54,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+/struc.xyz' 2026-02-10T11:42:54,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f/struc.xyz' 2026-02-10T11:42:54,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+/struc.xyz' 2026-02-10T11:42:54,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h/struc.xyz' 2026-02-10T11:42:54,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li/struc.xyz' 2026-02-10T11:42:54,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+/struc.xyz' 2026-02-10T11:42:54,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg/struc.xyz' 2026-02-10T11:42:54,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+/struc.xyz' 2026-02-10T11:42:54,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n/struc.xyz' 2026-02-10T11:42:54,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+/struc.xyz' 2026-02-10T11:42:54,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na/struc.xyz' 2026-02-10T11:42:54,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+/struc.xyz' 2026-02-10T11:42:54,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o/struc.xyz' 2026-02-10T11:42:54,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+/struc.xyz' 2026-02-10T11:42:54,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p/struc.xyz' 2026-02-10T11:42:54,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+/struc.xyz' 2026-02-10T11:42:54,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s/struc.xyz' 2026-02-10T11:42:54,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+/struc.xyz' 2026-02-10T11:42:54,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si/struc.xyz' 2026-02-10T11:42:54,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+/struc.xyz' 2026-02-10T11:42:54,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1/struc.xyz' 2026-02-10T11:42:54,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100/struc.xyz' 2026-02-10T11:42:54,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104/struc.xyz' 2026-02-10T11:42:54,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106/struc.xyz' 2026-02-10T11:42:54,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11/struc.xyz' 2026-02-10T11:42:54,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113/struc.xyz' 2026-02-10T11:42:54,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117/struc.xyz' 2026-02-10T11:42:54,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118/struc.xyz' 2026-02-10T11:42:54,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121/struc.xyz' 2026-02-10T11:42:54,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126/struc.xyz' 2026-02-10T11:42:54,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128/struc.xyz' 2026-02-10T11:42:54,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13/struc.xyz' 2026-02-10T11:42:54,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14/struc.xyz' 2026-02-10T11:42:54,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18/struc.xyz' 2026-02-10T11:42:54,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21/struc.xyz' 2026-02-10T11:42:54,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22/struc.xyz' 2026-02-10T11:42:54,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23/struc.xyz' 2026-02-10T11:42:54,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24/struc.xyz' 2026-02-10T11:42:54,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25/struc.xyz' 2026-02-10T11:42:54,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26/struc.xyz' 2026-02-10T11:42:54,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30/struc.xyz' 2026-02-10T11:42:54,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32/struc.xyz' 2026-02-10T11:42:54,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33/struc.xyz' 2026-02-10T11:42:54,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34/struc.xyz' 2026-02-10T11:42:54,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39/struc.xyz' 2026-02-10T11:42:54,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40/struc.xyz' 2026-02-10T11:42:54,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45/struc.xyz' 2026-02-10T11:42:54,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47/struc.xyz' 2026-02-10T11:42:54,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51/struc.xyz' 2026-02-10T11:42:54,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52/struc.xyz' 2026-02-10T11:42:54,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56/struc.xyz' 2026-02-10T11:42:54,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57/struc.xyz' 2026-02-10T11:42:54,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58/struc.xyz' 2026-02-10T11:42:54,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59/struc.xyz' 2026-02-10T11:42:54,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6/struc.xyz' 2026-02-10T11:42:54,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60/struc.xyz' 2026-02-10T11:42:54,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61/struc.xyz' 2026-02-10T11:42:54,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62/struc.xyz' 2026-02-10T11:42:54,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66/struc.xyz' 2026-02-10T11:42:54,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67/struc.xyz' 2026-02-10T11:42:54,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68/struc.xyz' 2026-02-10T11:42:54,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73/struc.xyz' 2026-02-10T11:42:54,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8/struc.xyz' 2026-02-10T11:42:54,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82/struc.xyz' 2026-02-10T11:42:54,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88/struc.xyz' 2026-02-10T11:42:54,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94/struc.xyz' 2026-02-10T11:42:54,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97/struc.xyz' 2026-02-10T11:42:54,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA/struc.xyz' 2026-02-10T11:42:54,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz' 2026-02-10T11:42:54,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB/struc.xyz' 2026-02-10T11:42:54,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA/struc.xyz' 2026-02-10T11:42:54,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz' 2026-02-10T11:42:54,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB/struc.xyz' 2026-02-10T11:42:54,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz' 2026-02-10T11:42:54,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz' 2026-02-10T11:42:54,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz' 2026-02-10T11:42:54,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz' 2026-02-10T11:42:54,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz' 2026-02-10T11:42:54,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz' 2026-02-10T11:42:54,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz' 2026-02-10T11:42:54,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz' 2026-02-10T11:42:54,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz' 2026-02-10T11:42:54,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz' 2026-02-10T11:42:54,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz' 2026-02-10T11:42:54,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz' 2026-02-10T11:42:54,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz' 2026-02-10T11:42:54,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz' 2026-02-10T11:42:54,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz' 2026-02-10T11:42:54,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz' 2026-02-10T11:42:54,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz' 2026-02-10T11:42:54,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz' 2026-02-10T11:42:54,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz' 2026-02-10T11:42:54,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz' 2026-02-10T11:42:54,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz' 2026-02-10T11:42:54,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz' 2026-02-10T11:42:54,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz' 2026-02-10T11:42:54,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz' 2026-02-10T11:42:54,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz' 2026-02-10T11:42:54,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz' 2026-02-10T11:42:54,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz' 2026-02-10T11:42:54,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz' 2026-02-10T11:42:54,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz' 2026-02-10T11:42:54,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz' 2026-02-10T11:42:54,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz' 2026-02-10T11:42:54,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz' 2026-02-10T11:42:54,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz' 2026-02-10T11:42:54,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz' 2026-02-10T11:42:54,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz' 2026-02-10T11:42:54,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz' 2026-02-10T11:42:54,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr/struc.xyz' 2026-02-10T11:42:54,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz' 2026-02-10T11:42:54,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe/struc.xyz' 2026-02-10T11:42:54,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH/struc.xyz' 2026-02-10T11:42:54,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3/struc.xyz' 2026-02-10T11:42:54,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz' 2026-02-10T11:42:54,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz' 2026-02-10T11:42:54,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH/struc.xyz' 2026-02-10T11:42:54,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr/struc.xyz' 2026-02-10T11:42:54,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI/struc.xyz' 2026-02-10T11:42:54,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr/struc.xyz' 2026-02-10T11:42:54,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH/struc.xyz' 2026-02-10T11:42:54,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl/struc.xyz' 2026-02-10T11:42:54,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI/struc.xyz' 2026-02-10T11:42:54,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH/struc.xyz' 2026-02-10T11:42:54,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe/struc.xyz' 2026-02-10T11:42:54,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH/struc.xyz' 2026-02-10T11:42:54,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3/struc.xyz' 2026-02-10T11:42:54,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2/struc.xyz' 2026-02-10T11:42:54,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3/struc.xyz' 2026-02-10T11:42:54,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH/struc.xyz' 2026-02-10T11:42:54,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr/struc.xyz' 2026-02-10T11:42:54,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe/struc.xyz' 2026-02-10T11:42:54,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI/struc.xyz' 2026-02-10T11:42:54,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH/struc.xyz' 2026-02-10T11:42:54,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe/struc.xyz' 2026-02-10T11:42:54,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH/struc.xyz' 2026-02-10T11:42:54,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3/struc.xyz' 2026-02-10T11:42:54,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2/struc.xyz' 2026-02-10T11:42:54,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3/struc.xyz' 2026-02-10T11:42:54,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH/struc.xyz' 2026-02-10T11:42:54,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr/struc.xyz' 2026-02-10T11:42:54,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS/struc.xyz' 2026-02-10T11:42:54,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH/struc.xyz' 2026-02-10T11:42:54,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI/struc.xyz' 2026-02-10T11:42:54,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr/struc.xyz' 2026-02-10T11:42:54,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl/struc.xyz' 2026-02-10T11:42:54,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS/struc.xyz' 2026-02-10T11:42:54,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS/struc.xyz' 2026-02-10T11:42:54,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr/struc.xyz' 2026-02-10T11:42:54,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI/struc.xyz' 2026-02-10T11:42:54,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3/struc.xyz' 2026-02-10T11:42:54,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI/struc.xyz' 2026-02-10T11:42:54,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr/struc.xyz' 2026-02-10T11:42:54,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl/struc.xyz' 2026-02-10T11:42:54,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS/struc.xyz' 2026-02-10T11:42:54,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS/struc.xyz' 2026-02-10T11:42:54,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr/struc.xyz' 2026-02-10T11:42:54,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI/struc.xyz' 2026-02-10T11:42:54,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS/struc.xyz' 2026-02-10T11:42:54,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2/struc.xyz' 2026-02-10T11:42:54,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3/struc.xyz' 2026-02-10T11:42:54,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH/struc.xyz' 2026-02-10T11:42:54,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI/struc.xyz' 2026-02-10T11:42:54,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr/struc.xyz' 2026-02-10T11:42:54,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl/struc.xyz' 2026-02-10T11:42:54,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS/struc.xyz' 2026-02-10T11:42:54,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS/struc.xyz' 2026-02-10T11:42:54,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr/struc.xyz' 2026-02-10T11:42:54,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI/struc.xyz' 2026-02-10T11:42:54,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr/struc.xyz' 2026-02-10T11:42:54,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI/struc.xyz' 2026-02-10T11:42:54,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr/struc.xyz' 2026-02-10T11:42:54,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3/struc.xyz' 2026-02-10T11:42:54,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2/struc.xyz' 2026-02-10T11:42:54,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz' 2026-02-10T11:42:54,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz' 2026-02-10T11:42:54,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz' 2026-02-10T11:42:54,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz' 2026-02-10T11:42:54,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi/struc.xyz' 2026-02-10T11:42:54,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz' 2026-02-10T11:42:54,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o/struc.xyz' 2026-02-10T11:42:54,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s/struc.xyz' 2026-02-10T11:42:54,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr/struc.xyz' 2026-02-10T11:42:54,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl/struc.xyz' 2026-02-10T11:42:54,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi/struc.xyz' 2026-02-10T11:42:54,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3/struc.xyz' 2026-02-10T11:42:54,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4/struc.xyz' 2026-02-10T11:42:54,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2/struc.xyz' 2026-02-10T11:42:54,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz' 2026-02-10T11:42:54,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz' 2026-02-10T11:42:54,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz' 2026-02-10T11:42:54,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz' 2026-02-10T11:42:54,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz' 2026-02-10T11:42:54,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz' 2026-02-10T11:42:54,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3/struc.xyz' 2026-02-10T11:42:54,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2/struc.xyz' 2026-02-10T11:42:54,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz' 2026-02-10T11:42:54,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz' 2026-02-10T11:42:54,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz' 2026-02-10T11:42:54,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz' 2026-02-10T11:42:54,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz' 2026-02-10T11:42:54,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz' 2026-02-10T11:42:54,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2/struc.xyz' 2026-02-10T11:42:54,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2/struc.xyz' 2026-02-10T11:42:54,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz' 2026-02-10T11:42:54,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz' 2026-02-10T11:42:54,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz' 2026-02-10T11:42:54,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz' 2026-02-10T11:42:54,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi/struc.xyz' 2026-02-10T11:42:54,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz' 2026-02-10T11:42:54,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4/struc.xyz' 2026-02-10T11:42:54,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2/struc.xyz' 2026-02-10T11:42:54,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br/struc.xyz' 2026-02-10T11:42:54,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2/struc.xyz' 2026-02-10T11:42:54,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl/struc.xyz' 2026-02-10T11:42:54,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2/struc.xyz' 2026-02-10T11:42:54,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz' 2026-02-10T11:42:54,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3/struc.xyz' 2026-02-10T11:42:54,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2/struc.xyz' 2026-02-10T11:42:54,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2/struc.xyz' 2026-02-10T11:42:54,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4/struc.xyz' 2026-02-10T11:42:54,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz' 2026-02-10T11:42:54,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3/struc.xyz' 2026-02-10T11:42:54,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2/struc.xyz' 2026-02-10T11:42:54,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz' 2026-02-10T11:42:54,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2/struc.xyz' 2026-02-10T11:42:54,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh/struc.xyz' 2026-02-10T11:42:54,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh/struc.xyz' 2026-02-10T11:42:54,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz' 2026-02-10T11:42:54,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3/struc.xyz' 2026-02-10T11:42:54,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2/struc.xyz' 2026-02-10T11:42:54,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme/struc.xyz' 2026-02-10T11:42:54,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1/struc.xyz' 2026-02-10T11:42:54,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2/struc.xyz' 2026-02-10T11:42:54,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3/struc.xyz' 2026-02-10T11:42:54,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1/struc.xyz' 2026-02-10T11:42:54,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2/struc.xyz' 2026-02-10T11:42:54,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3/struc.xyz' 2026-02-10T11:42:54,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4/struc.xyz' 2026-02-10T11:42:54,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1/struc.xyz' 2026-02-10T11:42:54,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2/struc.xyz' 2026-02-10T11:42:54,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3/struc.xyz' 2026-02-10T11:42:54,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1/struc.xyz' 2026-02-10T11:42:54,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2/struc.xyz' 2026-02-10T11:42:54,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1/struc.xyz' 2026-02-10T11:42:54,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2/struc.xyz' 2026-02-10T11:42:54,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3/struc.xyz' 2026-02-10T11:42:54,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1/struc.xyz' 2026-02-10T11:42:54,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2/struc.xyz' 2026-02-10T11:42:54,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1/struc.xyz' 2026-02-10T11:42:54,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2/struc.xyz' 2026-02-10T11:42:54,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1/struc.xyz' 2026-02-10T11:42:54,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2/struc.xyz' 2026-02-10T11:42:54,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1/struc.xyz' 2026-02-10T11:42:54,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2/struc.xyz' 2026-02-10T11:42:54,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3/struc.xyz' 2026-02-10T11:42:54,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4/struc.xyz' 2026-02-10T11:42:54,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1/struc.xyz' 2026-02-10T11:42:54,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2/struc.xyz' 2026-02-10T11:42:54,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f/struc.xyz' 2026-02-10T11:42:54,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l/struc.xyz' 2026-02-10T11:42:54,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f/struc.xyz' 2026-02-10T11:42:54,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l/struc.xyz' 2026-02-10T11:42:54,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant/struc.xyz' 2026-02-10T11:42:54,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer/struc.xyz' 2026-02-10T11:42:54,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2/struc.xyz' 2026-02-10T11:42:54,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1/struc.xyz' 2026-02-10T11:42:54,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2/struc.xyz' 2026-02-10T11:42:54,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22/struc.xyz' 2026-02-10T11:42:54,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene/struc.xyz' 2026-02-10T11:42:54,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1/struc.xyz' 2026-02-10T11:42:54,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2/struc.xyz' 2026-02-10T11:42:54,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008/struc.xyz' 2026-02-10T11:42:54,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A/struc.xyz' 2026-02-10T11:42:54,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B/struc.xyz' 2026-02-10T11:42:54,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144/struc.xyz' 2026-02-10T11:42:54,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A/struc.xyz' 2026-02-10T11:42:54,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B/struc.xyz' 2026-02-10T11:42:54,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147/struc.xyz' 2026-02-10T11:42:54,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A/struc.xyz' 2026-02-10T11:42:54,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B/struc.xyz' 2026-02-10T11:42:54,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148/struc.xyz' 2026-02-10T11:42:54,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A/struc.xyz' 2026-02-10T11:42:54,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B/struc.xyz' 2026-02-10T11:42:54,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150/struc.xyz' 2026-02-10T11:42:54,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A/struc.xyz' 2026-02-10T11:42:54,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B/struc.xyz' 2026-02-10T11:42:54,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152/struc.xyz' 2026-02-10T11:42:54,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A/struc.xyz' 2026-02-10T11:42:54,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B/struc.xyz' 2026-02-10T11:42:54,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187/struc.xyz' 2026-02-10T11:42:54,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A/struc.xyz' 2026-02-10T11:42:54,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B/struc.xyz' 2026-02-10T11:42:54,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202/struc.xyz' 2026-02-10T11:42:54,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A/struc.xyz' 2026-02-10T11:42:54,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B/struc.xyz' 2026-02-10T11:42:54,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212/struc.xyz' 2026-02-10T11:42:54,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A/struc.xyz' 2026-02-10T11:42:54,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B/struc.xyz' 2026-02-10T11:42:54,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213/struc.xyz' 2026-02-10T11:42:54,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A/struc.xyz' 2026-02-10T11:42:54,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B/struc.xyz' 2026-02-10T11:42:54,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214/struc.xyz' 2026-02-10T11:42:54,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A/struc.xyz' 2026-02-10T11:42:54,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B/struc.xyz' 2026-02-10T11:42:54,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227/struc.xyz' 2026-02-10T11:42:54,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A/struc.xyz' 2026-02-10T11:42:54,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B/struc.xyz' 2026-02-10T11:42:54,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228/struc.xyz' 2026-02-10T11:42:54,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A/struc.xyz' 2026-02-10T11:42:54,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B/struc.xyz' 2026-02-10T11:42:54,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229/struc.xyz' 2026-02-10T11:42:54,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A/struc.xyz' 2026-02-10T11:42:54,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B/struc.xyz' 2026-02-10T11:42:54,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230/struc.xyz' 2026-02-10T11:42:54,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A/struc.xyz' 2026-02-10T11:42:54,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B/struc.xyz' 2026-02-10T11:42:54,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231/struc.xyz' 2026-02-10T11:42:54,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A/struc.xyz' 2026-02-10T11:42:54,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B/struc.xyz' 2026-02-10T11:42:54,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene/struc.xyz' 2026-02-10T11:42:54,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz' 2026-02-10T11:42:54,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene/struc.xyz' 2026-02-10T11:42:54,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz' 2026-02-10T11:42:54,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene/struc.xyz' 2026-02-10T11:42:54,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS/struc.xyz' 2026-02-10T11:42:54,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz' 2026-02-10T11:42:54,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz' 2026-02-10T11:42:54,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz' 2026-02-10T11:42:54,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz' 2026-02-10T11:42:54,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether/struc.xyz' 2026-02-10T11:42:54,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS/struc.xyz' 2026-02-10T11:42:54,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O/struc.xyz' 2026-02-10T11:42:54,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS/struc.xyz' 2026-02-10T11:42:54,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S/struc.xyz' 2026-02-10T11:42:54,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS/struc.xyz' 2026-02-10T11:42:54,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene/struc.xyz' 2026-02-10T11:42:54,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz' 2026-02-10T11:42:54,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine/struc.xyz' 2026-02-10T11:42:54,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz' 2026-02-10T11:42:54,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3/struc.xyz' 2026-02-10T11:42:54,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS/struc.xyz' 2026-02-10T11:42:54,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3/struc.xyz' 2026-02-10T11:42:54,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS/struc.xyz' 2026-02-10T11:42:54,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3/struc.xyz' 2026-02-10T11:42:54,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS/struc.xyz' 2026-02-10T11:42:54,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph/struc.xyz' 2026-02-10T11:42:54,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS/struc.xyz' 2026-02-10T11:42:54,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3/struc.xyz' 2026-02-10T11:42:54,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS/struc.xyz' 2026-02-10T11:42:54,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3/struc.xyz' 2026-02-10T11:42:54,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS/struc.xyz' 2026-02-10T11:42:54,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene/struc.xyz' 2026-02-10T11:42:54,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz' 2026-02-10T11:42:54,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2/struc.xyz' 2026-02-10T11:42:54,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS/struc.xyz' 2026-02-10T11:42:54,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene/struc.xyz' 2026-02-10T11:42:54,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS/struc.xyz' 2026-02-10T11:42:54,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz' 2026-02-10T11:42:54,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz' 2026-02-10T11:42:54,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene/struc.xyz' 2026-02-10T11:42:54,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz' 2026-02-10T11:42:54,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether/struc.xyz' 2026-02-10T11:42:54,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS/struc.xyz' 2026-02-10T11:42:54,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene/struc.xyz' 2026-02-10T11:42:54,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz' 2026-02-10T11:42:54,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz' 2026-02-10T11:42:54,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz' 2026-02-10T11:42:54,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1/struc.xyz' 2026-02-10T11:42:54,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10/struc.xyz' 2026-02-10T11:42:54,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11/struc.xyz' 2026-02-10T11:42:54,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12/struc.xyz' 2026-02-10T11:42:54,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13/struc.xyz' 2026-02-10T11:42:54,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14/struc.xyz' 2026-02-10T11:42:54,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15/struc.xyz' 2026-02-10T11:42:54,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16/struc.xyz' 2026-02-10T11:42:54,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17/struc.xyz' 2026-02-10T11:42:54,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18/struc.xyz' 2026-02-10T11:42:54,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19/struc.xyz' 2026-02-10T11:42:54,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20/struc.xyz' 2026-02-10T11:42:54,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21/struc.xyz' 2026-02-10T11:42:54,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22/struc.xyz' 2026-02-10T11:42:54,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23/struc.xyz' 2026-02-10T11:42:54,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24/struc.xyz' 2026-02-10T11:42:54,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25/struc.xyz' 2026-02-10T11:42:54,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26/struc.xyz' 2026-02-10T11:42:54,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27/struc.xyz' 2026-02-10T11:42:54,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28/struc.xyz' 2026-02-10T11:42:54,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29/struc.xyz' 2026-02-10T11:42:54,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3/struc.xyz' 2026-02-10T11:42:54,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30/struc.xyz' 2026-02-10T11:42:54,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31/struc.xyz' 2026-02-10T11:42:54,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32/struc.xyz' 2026-02-10T11:42:54,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33/struc.xyz' 2026-02-10T11:42:54,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34/struc.xyz' 2026-02-10T11:42:54,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4/struc.xyz' 2026-02-10T11:42:54,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5/struc.xyz' 2026-02-10T11:42:54,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7/struc.xyz' 2026-02-10T11:42:54,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8/struc.xyz' 2026-02-10T11:42:54,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9/struc.xyz' 2026-02-10T11:42:54,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1/struc.xyz' 2026-02-10T11:42:54,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10/struc.xyz' 2026-02-10T11:42:54,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11/struc.xyz' 2026-02-10T11:42:54,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12/struc.xyz' 2026-02-10T11:42:54,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13/struc.xyz' 2026-02-10T11:42:54,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14/struc.xyz' 2026-02-10T11:42:54,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15/struc.xyz' 2026-02-10T11:42:54,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16/struc.xyz' 2026-02-10T11:42:54,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17/struc.xyz' 2026-02-10T11:42:54,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18/struc.xyz' 2026-02-10T11:42:54,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2/struc.xyz' 2026-02-10T11:42:54,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20/struc.xyz' 2026-02-10T11:42:54,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21/struc.xyz' 2026-02-10T11:42:54,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23/struc.xyz' 2026-02-10T11:42:54,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24/struc.xyz' 2026-02-10T11:42:54,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25/struc.xyz' 2026-02-10T11:42:54,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26/struc.xyz' 2026-02-10T11:42:54,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27/struc.xyz' 2026-02-10T11:42:54,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28/struc.xyz' 2026-02-10T11:42:54,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29/struc.xyz' 2026-02-10T11:42:54,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3/struc.xyz' 2026-02-10T11:42:54,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30/struc.xyz' 2026-02-10T11:42:54,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31/struc.xyz' 2026-02-10T11:42:54,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32/struc.xyz' 2026-02-10T11:42:54,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33/struc.xyz' 2026-02-10T11:42:54,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34/struc.xyz' 2026-02-10T11:42:54,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4/struc.xyz' 2026-02-10T11:42:54,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6/struc.xyz' 2026-02-10T11:42:54,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7/struc.xyz' 2026-02-10T11:42:54,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8/struc.xyz' 2026-02-10T11:42:54,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9/struc.xyz' 2026-02-10T11:42:54,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e/struc.xyz' 2026-02-10T11:42:54,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p/struc.xyz' 2026-02-10T11:42:54,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e/struc.xyz' 2026-02-10T11:42:54,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p/struc.xyz' 2026-02-10T11:42:54,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e/struc.xyz' 2026-02-10T11:42:54,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p/struc.xyz' 2026-02-10T11:42:54,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e/struc.xyz' 2026-02-10T11:42:54,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p/struc.xyz' 2026-02-10T11:42:54,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e/struc.xyz' 2026-02-10T11:42:54,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p/struc.xyz' 2026-02-10T11:42:54,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e/struc.xyz' 2026-02-10T11:42:54,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p/struc.xyz' 2026-02-10T11:42:54,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e/struc.xyz' 2026-02-10T11:42:54,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p/struc.xyz' 2026-02-10T11:42:54,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e/struc.xyz' 2026-02-10T11:42:54,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p/struc.xyz' 2026-02-10T11:42:54,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e/struc.xyz' 2026-02-10T11:42:54,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p/struc.xyz' 2026-02-10T11:42:54,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e/struc.xyz' 2026-02-10T11:42:54,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p/struc.xyz' 2026-02-10T11:42:54,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e/struc.xyz' 2026-02-10T11:42:54,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p/struc.xyz' 2026-02-10T11:42:54,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e/struc.xyz' 2026-02-10T11:42:54,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p/struc.xyz' 2026-02-10T11:42:54,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e/struc.xyz' 2026-02-10T11:42:54,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p/struc.xyz' 2026-02-10T11:42:54,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e/struc.xyz' 2026-02-10T11:42:54,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p/struc.xyz' 2026-02-10T11:42:54,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e/struc.xyz' 2026-02-10T11:42:54,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p/struc.xyz' 2026-02-10T11:42:54,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e/struc.xyz' 2026-02-10T11:42:54,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p/struc.xyz' 2026-02-10T11:42:54,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e/struc.xyz' 2026-02-10T11:42:54,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p/struc.xyz' 2026-02-10T11:42:54,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e/struc.xyz' 2026-02-10T11:42:54,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p/struc.xyz' 2026-02-10T11:42:54,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e/struc.xyz' 2026-02-10T11:42:54,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p/struc.xyz' 2026-02-10T11:42:54,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e/struc.xyz' 2026-02-10T11:42:54,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p/struc.xyz' 2026-02-10T11:42:54,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e/struc.xyz' 2026-02-10T11:42:54,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p/struc.xyz' 2026-02-10T11:42:54,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e/struc.xyz' 2026-02-10T11:42:54,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p/struc.xyz' 2026-02-10T11:42:54,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e/struc.xyz' 2026-02-10T11:42:54,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p/struc.xyz' 2026-02-10T11:42:54,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e/struc.xyz' 2026-02-10T11:42:54,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p/struc.xyz' 2026-02-10T11:42:54,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01/struc.xyz' 2026-02-10T11:42:54,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02/struc.xyz' 2026-02-10T11:42:54,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03/struc.xyz' 2026-02-10T11:42:54,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04/struc.xyz' 2026-02-10T11:42:54,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05/struc.xyz' 2026-02-10T11:42:54,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06/struc.xyz' 2026-02-10T11:42:54,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07/struc.xyz' 2026-02-10T11:42:54,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08/struc.xyz' 2026-02-10T11:42:54,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09/struc.xyz' 2026-02-10T11:42:54,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10/struc.xyz' 2026-02-10T11:42:54,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11/struc.xyz' 2026-02-10T11:42:54,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12/struc.xyz' 2026-02-10T11:42:54,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13/struc.xyz' 2026-02-10T11:42:55,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14/struc.xyz' 2026-02-10T11:42:55,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15/struc.xyz' 2026-02-10T11:42:55,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16/struc.xyz' 2026-02-10T11:42:55,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17/struc.xyz' 2026-02-10T11:42:55,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18/struc.xyz' 2026-02-10T11:42:55,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19/struc.xyz' 2026-02-10T11:42:55,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20/struc.xyz' 2026-02-10T11:42:55,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21/struc.xyz' 2026-02-10T11:42:55,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22/struc.xyz' 2026-02-10T11:42:55,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23/struc.xyz' 2026-02-10T11:42:55,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24/struc.xyz' 2026-02-10T11:42:55,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25/struc.xyz' 2026-02-10T11:42:55,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26/struc.xyz' 2026-02-10T11:42:55,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27/struc.xyz' 2026-02-10T11:42:55,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28/struc.xyz' 2026-02-10T11:42:55,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29/struc.xyz' 2026-02-10T11:42:55,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30/struc.xyz' 2026-02-10T11:42:55,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31/struc.xyz' 2026-02-10T11:42:55,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32/struc.xyz' 2026-02-10T11:42:55,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33/struc.xyz' 2026-02-10T11:42:55,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz' 2026-02-10T11:42:55,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35/struc.xyz' 2026-02-10T11:42:55,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36/struc.xyz' 2026-02-10T11:42:55,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37/struc.xyz' 2026-02-10T11:42:55,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz' 2026-02-10T11:42:55,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39/struc.xyz' 2026-02-10T11:42:55,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40/struc.xyz' 2026-02-10T11:42:55,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41/struc.xyz' 2026-02-10T11:42:55,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42/struc.xyz' 2026-02-10T11:42:55,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43/struc.xyz' 2026-02-10T11:42:55,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3/struc.xyz' 2026-02-10T11:42:55,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3/struc.xyz' 2026-02-10T11:42:55,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2/struc.xyz' 2026-02-10T11:42:55,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4/struc.xyz' 2026-02-10T11:42:55,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2/struc.xyz' 2026-02-10T11:42:55,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2/struc.xyz' 2026-02-10T11:42:55,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2/struc.xyz' 2026-02-10T11:42:55,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH/struc.xyz' 2026-02-10T11:42:55,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2/struc.xyz' 2026-02-10T11:42:55,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2/struc.xyz' 2026-02-10T11:42:55,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH/struc.xyz' 2026-02-10T11:42:55,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2/struc.xyz' 2026-02-10T11:42:55,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2/struc.xyz' 2026-02-10T11:42:55,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2/struc.xyz' 2026-02-10T11:42:55,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4/struc.xyz' 2026-02-10T11:42:55,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1/struc.xyz' 2026-02-10T11:42:55,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10/struc.xyz' 2026-02-10T11:42:55,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11/struc.xyz' 2026-02-10T11:42:55,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12/struc.xyz' 2026-02-10T11:42:55,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13/struc.xyz' 2026-02-10T11:42:55,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14/struc.xyz' 2026-02-10T11:42:55,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15/struc.xyz' 2026-02-10T11:42:55,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16/struc.xyz' 2026-02-10T11:42:55,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17/struc.xyz' 2026-02-10T11:42:55,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18/struc.xyz' 2026-02-10T11:42:55,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19/struc.xyz' 2026-02-10T11:42:55,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2/struc.xyz' 2026-02-10T11:42:55,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20/struc.xyz' 2026-02-10T11:42:55,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21/struc.xyz' 2026-02-10T11:42:55,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22/struc.xyz' 2026-02-10T11:42:55,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23/struc.xyz' 2026-02-10T11:42:55,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24/struc.xyz' 2026-02-10T11:42:55,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25/struc.xyz' 2026-02-10T11:42:55,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26/struc.xyz' 2026-02-10T11:42:55,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27/struc.xyz' 2026-02-10T11:42:55,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28/struc.xyz' 2026-02-10T11:42:55,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29/struc.xyz' 2026-02-10T11:42:55,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3/struc.xyz' 2026-02-10T11:42:55,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30/struc.xyz' 2026-02-10T11:42:55,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31/struc.xyz' 2026-02-10T11:42:55,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32/struc.xyz' 2026-02-10T11:42:55,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33/struc.xyz' 2026-02-10T11:42:55,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34/struc.xyz' 2026-02-10T11:42:55,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35/struc.xyz' 2026-02-10T11:42:55,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36/struc.xyz' 2026-02-10T11:42:55,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37/struc.xyz' 2026-02-10T11:42:55,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38/struc.xyz' 2026-02-10T11:42:55,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39/struc.xyz' 2026-02-10T11:42:55,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4/struc.xyz' 2026-02-10T11:42:55,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40/struc.xyz' 2026-02-10T11:42:55,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41/struc.xyz' 2026-02-10T11:42:55,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42/struc.xyz' 2026-02-10T11:42:55,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43/struc.xyz' 2026-02-10T11:42:55,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44/struc.xyz' 2026-02-10T11:42:55,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45/struc.xyz' 2026-02-10T11:42:55,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46/struc.xyz' 2026-02-10T11:42:55,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47/struc.xyz' 2026-02-10T11:42:55,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48/struc.xyz' 2026-02-10T11:42:55,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49/struc.xyz' 2026-02-10T11:42:55,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5/struc.xyz' 2026-02-10T11:42:55,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50/struc.xyz' 2026-02-10T11:42:55,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51/struc.xyz' 2026-02-10T11:42:55,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52/struc.xyz' 2026-02-10T11:42:55,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6/struc.xyz' 2026-02-10T11:42:55,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7/struc.xyz' 2026-02-10T11:42:55,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8/struc.xyz' 2026-02-10T11:42:55,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9/struc.xyz' 2026-02-10T11:42:55,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3/struc.xyz' 2026-02-10T11:42:55,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz' 2026-02-10T11:42:55,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3/struc.xyz' 2026-02-10T11:42:55,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3/struc.xyz' 2026-02-10T11:42:55,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3/struc.xyz' 2026-02-10T11:42:55,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3/struc.xyz' 2026-02-10T11:42:55,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2/struc.xyz' 2026-02-10T11:42:55,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl/struc.xyz' 2026-02-10T11:42:55,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F/struc.xyz' 2026-02-10T11:42:55,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H/struc.xyz' 2026-02-10T11:42:55,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3/struc.xyz' 2026-02-10T11:42:55,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3/struc.xyz' 2026-02-10T11:42:55,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3/struc.xyz' 2026-02-10T11:42:55,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz/struc.xyz' 2026-02-10T11:42:55,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut/struc.xyz' 2026-02-10T11:42:55,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch/struc.xyz' 2026-02-10T11:42:55,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2/struc.xyz' 2026-02-10T11:42:55,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh/struc.xyz' 2026-02-10T11:42:55,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2/struc.xyz' 2026-02-10T11:42:55,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3/struc.xyz' 2026-02-10T11:42:55,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3/struc.xyz' 2026-02-10T11:42:55,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A/struc.xyz' 2026-02-10T11:42:55,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap/struc.xyz' 2026-02-10T11:42:55,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C/struc.xyz' 2026-02-10T11:42:55,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp/struc.xyz' 2026-02-10T11:42:55,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G/struc.xyz' 2026-02-10T11:42:55,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp/struc.xyz' 2026-02-10T11:42:55,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T/struc.xyz' 2026-02-10T11:42:55,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp/struc.xyz' 2026-02-10T11:42:55,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass/struc.xyz' 2026-02-10T11:42:55,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp/struc.xyz' 2026-02-10T11:42:55,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6/struc.xyz' 2026-02-10T11:42:55,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p/struc.xyz' 2026-02-10T11:42:55,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2/struc.xyz' 2026-02-10T11:42:55,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p/struc.xyz' 2026-02-10T11:42:55,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s/struc.xyz' 2026-02-10T11:42:55,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp/struc.xyz' 2026-02-10T11:42:55,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh/struc.xyz' 2026-02-10T11:42:55,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp/struc.xyz' 2026-02-10T11:42:55,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys/struc.xyz' 2026-02-10T11:42:55,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp/struc.xyz' 2026-02-10T11:42:55,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol/struc.xyz' 2026-02-10T11:42:55,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp/struc.xyz' 2026-02-10T11:42:55,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly/struc.xyz' 2026-02-10T11:42:55,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp/struc.xyz' 2026-02-10T11:42:55,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2/struc.xyz' 2026-02-10T11:42:55,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o/struc.xyz' 2026-02-10T11:42:55,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op/struc.xyz' 2026-02-10T11:42:55,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p/struc.xyz' 2026-02-10T11:42:55,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s/struc.xyz' 2026-02-10T11:42:55,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp/struc.xyz' 2026-02-10T11:42:55,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl/struc.xyz' 2026-02-10T11:42:55,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp/struc.xyz' 2026-02-10T11:42:55,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3/struc.xyz' 2026-02-10T11:42:55,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p/struc.xyz' 2026-02-10T11:42:55,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2/struc.xyz' 2026-02-10T11:42:55,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p/struc.xyz' 2026-02-10T11:42:55,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4/struc.xyz' 2026-02-10T11:42:55,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p/struc.xyz' 2026-02-10T11:42:55,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6/struc.xyz' 2026-02-10T11:42:55,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p/struc.xyz' 2026-02-10T11:42:55,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8/struc.xyz' 2026-02-10T11:42:55,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p/struc.xyz' 2026-02-10T11:42:55,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3/struc.xyz' 2026-02-10T11:42:55,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p/struc.xyz' 2026-02-10T11:42:55,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz' 2026-02-10T11:42:55,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp/struc.xyz' 2026-02-10T11:42:55,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol/struc.xyz' 2026-02-10T11:42:55,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp/struc.xyz' 2026-02-10T11:42:55,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6/struc.xyz' 2026-02-10T11:42:55,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p/struc.xyz' 2026-02-10T11:42:55,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4/struc.xyz' 2026-02-10T11:42:55,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p/struc.xyz' 2026-02-10T11:42:55,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0/struc.xyz' 2026-02-10T11:42:55,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1/struc.xyz' 2026-02-10T11:42:55,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2/struc.xyz' 2026-02-10T11:42:55,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0/struc.xyz' 2026-02-10T11:42:55,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1/struc.xyz' 2026-02-10T11:42:55,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2/struc.xyz' 2026-02-10T11:42:55,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3/struc.xyz' 2026-02-10T11:42:55,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1/struc.xyz' 2026-02-10T11:42:55,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2/struc.xyz' 2026-02-10T11:42:55,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3/struc.xyz' 2026-02-10T11:42:55,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0/struc.xyz' 2026-02-10T11:42:55,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2/struc.xyz' 2026-02-10T11:42:55,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41/struc.xyz' 2026-02-10T11:42:55,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42/struc.xyz' 2026-02-10T11:42:55,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43/struc.xyz' 2026-02-10T11:42:55,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41/struc.xyz' 2026-02-10T11:42:55,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42/struc.xyz' 2026-02-10T11:42:55,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71/struc.xyz' 2026-02-10T11:42:55,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72/struc.xyz' 2026-02-10T11:42:55,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71/struc.xyz' 2026-02-10T11:42:55,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72/struc.xyz' 2026-02-10T11:42:55,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0/struc.xyz' 2026-02-10T11:42:55,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1/struc.xyz' 2026-02-10T11:42:55,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2/struc.xyz' 2026-02-10T11:42:55,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3/struc.xyz' 2026-02-10T11:42:55,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41/struc.xyz' 2026-02-10T11:42:55,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42/struc.xyz' 2026-02-10T11:42:55,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0/struc.xyz' 2026-02-10T11:42:55,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2/struc.xyz' 2026-02-10T11:42:55,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3/struc.xyz' 2026-02-10T11:42:55,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4/struc.xyz' 2026-02-10T11:42:55,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114/struc.xyz' 2026-02-10T11:42:55,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215/struc.xyz' 2026-02-10T11:42:55,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224/struc.xyz' 2026-02-10T11:42:55,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300/struc.xyz' 2026-02-10T11:42:55,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357/struc.xyz' 2026-02-10T11:42:55,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366/struc.xyz' 2026-02-10T11:42:55,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412/struc.xyz' 2026-02-10T11:42:55,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444/struc.xyz' 2026-02-10T11:42:55,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470/struc.xyz' 2026-02-10T11:42:55,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691/struc.xyz' 2026-02-10T11:42:55,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99/struc.xyz' 2026-02-10T11:42:55,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL/struc.xyz' 2026-02-10T11:42:55,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR/struc.xyz' 2026-02-10T11:42:55,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab/struc.xyz' 2026-02-10T11:42:55,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b/struc.xyz' 2026-02-10T11:42:55,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII/struc.xyz' 2026-02-10T11:42:55,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL/struc.xyz' 2026-02-10T11:42:55,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR/struc.xyz' 2026-02-10T11:42:55,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab/struc.xyz' 2026-02-10T11:42:55,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b/struc.xyz' 2026-02-10T11:42:55,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII/struc.xyz' 2026-02-10T11:42:55,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1/struc.xyz' 2026-02-10T11:42:55,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10/struc.xyz' 2026-02-10T11:42:55,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a/struc.xyz' 2026-02-10T11:42:55,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b/struc.xyz' 2026-02-10T11:42:55,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11/struc.xyz' 2026-02-10T11:42:55,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a/struc.xyz' 2026-02-10T11:42:55,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b/struc.xyz' 2026-02-10T11:42:55,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12/struc.xyz' 2026-02-10T11:42:55,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a/struc.xyz' 2026-02-10T11:42:55,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b/struc.xyz' 2026-02-10T11:42:55,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13/struc.xyz' 2026-02-10T11:42:55,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a/struc.xyz' 2026-02-10T11:42:55,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b/struc.xyz' 2026-02-10T11:42:55,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14/struc.xyz' 2026-02-10T11:42:55,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a/struc.xyz' 2026-02-10T11:42:55,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b/struc.xyz' 2026-02-10T11:42:55,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15/struc.xyz' 2026-02-10T11:42:55,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a/struc.xyz' 2026-02-10T11:42:55,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b/struc.xyz' 2026-02-10T11:42:55,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16/struc.xyz' 2026-02-10T11:42:55,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a/struc.xyz' 2026-02-10T11:42:55,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b/struc.xyz' 2026-02-10T11:42:55,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17/struc.xyz' 2026-02-10T11:42:55,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a/struc.xyz' 2026-02-10T11:42:55,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b/struc.xyz' 2026-02-10T11:42:55,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18/struc.xyz' 2026-02-10T11:42:55,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a/struc.xyz' 2026-02-10T11:42:55,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b/struc.xyz' 2026-02-10T11:42:55,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19/struc.xyz' 2026-02-10T11:42:55,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a/struc.xyz' 2026-02-10T11:42:55,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b/struc.xyz' 2026-02-10T11:42:55,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a/struc.xyz' 2026-02-10T11:42:55,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b/struc.xyz' 2026-02-10T11:42:55,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2/struc.xyz' 2026-02-10T11:42:55,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20/struc.xyz' 2026-02-10T11:42:55,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a/struc.xyz' 2026-02-10T11:42:55,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b/struc.xyz' 2026-02-10T11:42:55,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21/struc.xyz' 2026-02-10T11:42:55,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a/struc.xyz' 2026-02-10T11:42:55,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b/struc.xyz' 2026-02-10T11:42:55,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22/struc.xyz' 2026-02-10T11:42:55,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a/struc.xyz' 2026-02-10T11:42:55,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b/struc.xyz' 2026-02-10T11:42:55,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23/struc.xyz' 2026-02-10T11:42:55,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a/struc.xyz' 2026-02-10T11:42:55,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b/struc.xyz' 2026-02-10T11:42:55,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a/struc.xyz' 2026-02-10T11:42:55,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b/struc.xyz' 2026-02-10T11:42:55,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3/struc.xyz' 2026-02-10T11:42:55,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a/struc.xyz' 2026-02-10T11:42:55,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b/struc.xyz' 2026-02-10T11:42:55,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4/struc.xyz' 2026-02-10T11:42:55,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a/struc.xyz' 2026-02-10T11:42:55,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b/struc.xyz' 2026-02-10T11:42:55,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5/struc.xyz' 2026-02-10T11:42:55,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a/struc.xyz' 2026-02-10T11:42:55,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b/struc.xyz' 2026-02-10T11:42:55,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6/struc.xyz' 2026-02-10T11:42:55,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a/struc.xyz' 2026-02-10T11:42:55,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b/struc.xyz' 2026-02-10T11:42:55,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7/struc.xyz' 2026-02-10T11:42:55,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a/struc.xyz' 2026-02-10T11:42:55,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b/struc.xyz' 2026-02-10T11:42:55,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8/struc.xyz' 2026-02-10T11:42:55,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a/struc.xyz' 2026-02-10T11:42:55,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b/struc.xyz' 2026-02-10T11:42:55,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9/struc.xyz' 2026-02-10T11:42:55,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a/struc.xyz' 2026-02-10T11:42:55,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b/struc.xyz' 2026-02-10T11:42:55,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o/struc.xyz' 2026-02-10T11:42:55,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2/struc.xyz' 2026-02-10T11:42:55,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts/struc.xyz' 2026-02-10T11:42:55,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3/struc.xyz' 2026-02-10T11:42:55,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts/struc.xyz' 2026-02-10T11:42:55,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4/struc.xyz' 2026-02-10T11:42:55,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts/struc.xyz' 2026-02-10T11:42:55,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5/struc.xyz' 2026-02-10T11:42:55,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts/struc.xyz' 2026-02-10T11:42:55,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6/struc.xyz' 2026-02-10T11:42:55,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts/struc.xyz' 2026-02-10T11:42:55,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf/struc.xyz' 2026-02-10T11:42:55,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2/struc.xyz' 2026-02-10T11:42:55,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts/struc.xyz' 2026-02-10T11:42:55,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3/struc.xyz' 2026-02-10T11:42:55,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts/struc.xyz' 2026-02-10T11:42:55,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4/struc.xyz' 2026-02-10T11:42:55,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts/struc.xyz' 2026-02-10T11:42:55,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5/struc.xyz' 2026-02-10T11:42:55,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts/struc.xyz' 2026-02-10T11:42:55,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6/struc.xyz' 2026-02-10T11:42:55,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts/struc.xyz' 2026-02-10T11:42:55,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3/struc.xyz' 2026-02-10T11:42:55,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2/struc.xyz' 2026-02-10T11:42:55,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts/struc.xyz' 2026-02-10T11:42:55,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3/struc.xyz' 2026-02-10T11:42:55,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts/struc.xyz' 2026-02-10T11:42:55,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4/struc.xyz' 2026-02-10T11:42:55,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts/struc.xyz' 2026-02-10T11:42:55,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e/struc.xyz' 2026-02-10T11:42:55,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1/struc.xyz' 2026-02-10T11:42:55,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2/struc.xyz' 2026-02-10T11:42:55,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e/struc.xyz' 2026-02-10T11:42:55,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1/struc.xyz' 2026-02-10T11:42:55,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2/struc.xyz' 2026-02-10T11:42:55,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3/struc.xyz' 2026-02-10T11:42:55,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e/struc.xyz' 2026-02-10T11:42:55,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1/struc.xyz' 2026-02-10T11:42:55,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2/struc.xyz' 2026-02-10T11:42:55,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3/struc.xyz' 2026-02-10T11:42:55,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e/struc.xyz' 2026-02-10T11:42:55,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1/struc.xyz' 2026-02-10T11:42:55,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2/struc.xyz' 2026-02-10T11:42:55,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3/struc.xyz' 2026-02-10T11:42:55,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1/struc.xyz' 2026-02-10T11:42:55,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2/struc.xyz' 2026-02-10T11:42:55,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3/struc.xyz' 2026-02-10T11:42:55,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e/struc.xyz' 2026-02-10T11:42:55,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p/struc.xyz' 2026-02-10T11:42:55,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e/struc.xyz' 2026-02-10T11:42:55,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p/struc.xyz' 2026-02-10T11:42:55,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e/struc.xyz' 2026-02-10T11:42:55,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int/struc.xyz' 2026-02-10T11:42:55,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1/struc.xyz' 2026-02-10T11:42:55,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3/struc.xyz' 2026-02-10T11:42:55,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e/struc.xyz' 2026-02-10T11:42:55,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1/struc.xyz' 2026-02-10T11:42:55,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2/struc.xyz' 2026-02-10T11:42:55,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3/struc.xyz' 2026-02-10T11:42:55,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4/struc.xyz' 2026-02-10T11:42:55,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5/struc.xyz' 2026-02-10T11:42:55,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6/struc.xyz' 2026-02-10T11:42:55,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e/struc.xyz' 2026-02-10T11:42:55,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1/struc.xyz' 2026-02-10T11:42:55,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e/struc.xyz' 2026-02-10T11:42:55,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1/struc.xyz' 2026-02-10T11:42:55,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2/struc.xyz' 2026-02-10T11:42:55,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene/struc.xyz' 2026-02-10T11:42:55,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me/struc.xyz' 2026-02-10T11:42:55,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr/struc.xyz' 2026-02-10T11:42:55,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar/struc.xyz' 2026-02-10T11:42:55,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2/struc.xyz' 2026-02-10T11:42:55,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3/struc.xyz' 2026-02-10T11:42:55,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4/struc.xyz' 2026-02-10T11:42:55,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz/struc.xyz' 2026-02-10T11:42:55,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr/struc.xyz' 2026-02-10T11:42:55,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe/struc.xyz' 2026-02-10T11:42:55,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2/struc.xyz' 2026-02-10T11:42:55,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar/struc.xyz' 2026-02-10T11:42:55,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne/struc.xyz' 2026-02-10T11:42:55,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6/struc.xyz' 2026-02-10T11:42:55,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar/struc.xyz' 2026-02-10T11:42:55,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne/struc.xyz' 2026-02-10T11:42:55,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf/struc.xyz' 2026-02-10T11:42:55,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr/struc.xyz' 2026-02-10T11:42:55,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr/struc.xyz' 2026-02-10T11:42:55,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe/struc.xyz' 2026-02-10T11:42:55,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr/struc.xyz' 2026-02-10T11:42:55,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2/struc.xyz' 2026-02-10T11:42:55,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3/struc.xyz' 2026-02-10T11:42:55,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne/struc.xyz' 2026-02-10T11:42:55,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2/struc.xyz' 2026-02-10T11:42:55,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3/struc.xyz' 2026-02-10T11:42:55,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4/struc.xyz' 2026-02-10T11:42:55,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6/struc.xyz' 2026-02-10T11:42:55,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1/struc.xyz' 2026-02-10T11:42:55,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10/struc.xyz' 2026-02-10T11:42:55,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11/struc.xyz' 2026-02-10T11:42:55,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12/struc.xyz' 2026-02-10T11:42:55,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13/struc.xyz' 2026-02-10T11:42:55,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15/struc.xyz' 2026-02-10T11:42:55,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16/struc.xyz' 2026-02-10T11:42:55,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17/struc.xyz' 2026-02-10T11:42:55,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18/struc.xyz' 2026-02-10T11:42:55,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19/struc.xyz' 2026-02-10T11:42:55,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2/struc.xyz' 2026-02-10T11:42:55,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20/struc.xyz' 2026-02-10T11:42:55,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21/struc.xyz' 2026-02-10T11:42:55,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22/struc.xyz' 2026-02-10T11:42:55,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23/struc.xyz' 2026-02-10T11:42:55,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24/struc.xyz' 2026-02-10T11:42:55,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25/struc.xyz' 2026-02-10T11:42:55,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26/struc.xyz' 2026-02-10T11:42:55,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27/struc.xyz' 2026-02-10T11:42:55,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28/struc.xyz' 2026-02-10T11:42:55,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29/struc.xyz' 2026-02-10T11:42:55,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3/struc.xyz' 2026-02-10T11:42:55,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30/struc.xyz' 2026-02-10T11:42:55,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31/struc.xyz' 2026-02-10T11:42:55,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32/struc.xyz' 2026-02-10T11:42:55,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33/struc.xyz' 2026-02-10T11:42:55,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34/struc.xyz' 2026-02-10T11:42:55,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35/struc.xyz' 2026-02-10T11:42:55,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36/struc.xyz' 2026-02-10T11:42:55,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37/struc.xyz' 2026-02-10T11:42:55,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38/struc.xyz' 2026-02-10T11:42:55,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39/struc.xyz' 2026-02-10T11:42:55,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4/struc.xyz' 2026-02-10T11:42:55,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40/struc.xyz' 2026-02-10T11:42:55,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41/struc.xyz' 2026-02-10T11:42:55,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42/struc.xyz' 2026-02-10T11:42:55,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43/struc.xyz' 2026-02-10T11:42:55,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44/struc.xyz' 2026-02-10T11:42:55,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45/struc.xyz' 2026-02-10T11:42:55,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5/struc.xyz' 2026-02-10T11:42:55,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6/struc.xyz' 2026-02-10T11:42:55,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7/struc.xyz' 2026-02-10T11:42:55,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8/struc.xyz' 2026-02-10T11:42:55,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9/struc.xyz' 2026-02-10T11:42:55,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1/struc.xyz' 2026-02-10T11:42:55,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10/struc.xyz' 2026-02-10T11:42:55,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11/struc.xyz' 2026-02-10T11:42:55,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12/struc.xyz' 2026-02-10T11:42:55,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13/struc.xyz' 2026-02-10T11:42:55,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15/struc.xyz' 2026-02-10T11:42:55,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16/struc.xyz' 2026-02-10T11:42:55,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17/struc.xyz' 2026-02-10T11:42:55,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18/struc.xyz' 2026-02-10T11:42:55,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19/struc.xyz' 2026-02-10T11:42:55,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2/struc.xyz' 2026-02-10T11:42:55,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20/struc.xyz' 2026-02-10T11:42:55,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21/struc.xyz' 2026-02-10T11:42:55,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22/struc.xyz' 2026-02-10T11:42:55,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz' 2026-02-10T11:42:55,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24/struc.xyz' 2026-02-10T11:42:55,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25/struc.xyz' 2026-02-10T11:42:55,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26/struc.xyz' 2026-02-10T11:42:55,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27/struc.xyz' 2026-02-10T11:42:55,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28/struc.xyz' 2026-02-10T11:42:55,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29/struc.xyz' 2026-02-10T11:42:55,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3/struc.xyz' 2026-02-10T11:42:55,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30/struc.xyz' 2026-02-10T11:42:55,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31/struc.xyz' 2026-02-10T11:42:55,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32/struc.xyz' 2026-02-10T11:42:55,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33/struc.xyz' 2026-02-10T11:42:55,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34/struc.xyz' 2026-02-10T11:42:55,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35/struc.xyz' 2026-02-10T11:42:55,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36/struc.xyz' 2026-02-10T11:42:55,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37/struc.xyz' 2026-02-10T11:42:55,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38/struc.xyz' 2026-02-10T11:42:55,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39/struc.xyz' 2026-02-10T11:42:55,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4/struc.xyz' 2026-02-10T11:42:55,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40/struc.xyz' 2026-02-10T11:42:55,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41/struc.xyz' 2026-02-10T11:42:55,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42/struc.xyz' 2026-02-10T11:42:55,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43/struc.xyz' 2026-02-10T11:42:55,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44/struc.xyz' 2026-02-10T11:42:55,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45/struc.xyz' 2026-02-10T11:42:55,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5/struc.xyz' 2026-02-10T11:42:55,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6/struc.xyz' 2026-02-10T11:42:55,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7/struc.xyz' 2026-02-10T11:42:55,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8/struc.xyz' 2026-02-10T11:42:55,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9/struc.xyz' 2026-02-10T11:42:55,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01/struc.xyz' 2026-02-10T11:42:55,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a/struc.xyz' 2026-02-10T11:42:55,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02/struc.xyz' 2026-02-10T11:42:55,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a/struc.xyz' 2026-02-10T11:42:55,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b/struc.xyz' 2026-02-10T11:42:55,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03/struc.xyz' 2026-02-10T11:42:55,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a/struc.xyz' 2026-02-10T11:42:55,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04/struc.xyz' 2026-02-10T11:42:55,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a/struc.xyz' 2026-02-10T11:42:55,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05/struc.xyz' 2026-02-10T11:42:55,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a/struc.xyz' 2026-02-10T11:42:55,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06/struc.xyz' 2026-02-10T11:42:55,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a/struc.xyz' 2026-02-10T11:42:55,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b/struc.xyz' 2026-02-10T11:42:55,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07/struc.xyz' 2026-02-10T11:42:55,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a/struc.xyz' 2026-02-10T11:42:55,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b/struc.xyz' 2026-02-10T11:42:55,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08/struc.xyz' 2026-02-10T11:42:55,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a/struc.xyz' 2026-02-10T11:42:55,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09/struc.xyz' 2026-02-10T11:42:55,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a/struc.xyz' 2026-02-10T11:42:55,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10/struc.xyz' 2026-02-10T11:42:55,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a/struc.xyz' 2026-02-10T11:42:55,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b/struc.xyz' 2026-02-10T11:42:55,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11/struc.xyz' 2026-02-10T11:42:55,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a/struc.xyz' 2026-02-10T11:42:55,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12/struc.xyz' 2026-02-10T11:42:55,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a/struc.xyz' 2026-02-10T11:42:55,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13/struc.xyz' 2026-02-10T11:42:55,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a/struc.xyz' 2026-02-10T11:42:55,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14/struc.xyz' 2026-02-10T11:42:55,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a/struc.xyz' 2026-02-10T11:42:55,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b/struc.xyz' 2026-02-10T11:42:55,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15/struc.xyz' 2026-02-10T11:42:55,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a/struc.xyz' 2026-02-10T11:42:55,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b/struc.xyz' 2026-02-10T11:42:55,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16/struc.xyz' 2026-02-10T11:42:55,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a/struc.xyz' 2026-02-10T11:42:55,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b/struc.xyz' 2026-02-10T11:42:55,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17/struc.xyz' 2026-02-10T11:42:55,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a/struc.xyz' 2026-02-10T11:42:55,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b/struc.xyz' 2026-02-10T11:42:55,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18/struc.xyz' 2026-02-10T11:42:55,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a/struc.xyz' 2026-02-10T11:42:55,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b/struc.xyz' 2026-02-10T11:42:55,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19/struc.xyz' 2026-02-10T11:42:55,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a/struc.xyz' 2026-02-10T11:42:55,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b/struc.xyz' 2026-02-10T11:42:55,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20/struc.xyz' 2026-02-10T11:42:55,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a/struc.xyz' 2026-02-10T11:42:55,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b/struc.xyz' 2026-02-10T11:42:55,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21/struc.xyz' 2026-02-10T11:42:55,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a/struc.xyz' 2026-02-10T11:42:55,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b/struc.xyz' 2026-02-10T11:42:55,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22/struc.xyz' 2026-02-10T11:42:55,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a/struc.xyz' 2026-02-10T11:42:55,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b/struc.xyz' 2026-02-10T11:42:55,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01/struc.xyz' 2026-02-10T11:42:55,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A/struc.xyz' 2026-02-10T11:42:55,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B/struc.xyz' 2026-02-10T11:42:55,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02/struc.xyz' 2026-02-10T11:42:55,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A/struc.xyz' 2026-02-10T11:42:55,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B/struc.xyz' 2026-02-10T11:42:55,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03/struc.xyz' 2026-02-10T11:42:55,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A/struc.xyz' 2026-02-10T11:42:55,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B/struc.xyz' 2026-02-10T11:42:55,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04/struc.xyz' 2026-02-10T11:42:55,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A/struc.xyz' 2026-02-10T11:42:55,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B/struc.xyz' 2026-02-10T11:42:55,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05/struc.xyz' 2026-02-10T11:42:55,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A/struc.xyz' 2026-02-10T11:42:55,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B/struc.xyz' 2026-02-10T11:42:55,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06/struc.xyz' 2026-02-10T11:42:55,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A/struc.xyz' 2026-02-10T11:42:55,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B/struc.xyz' 2026-02-10T11:42:55,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07/struc.xyz' 2026-02-10T11:42:55,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A/struc.xyz' 2026-02-10T11:42:55,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B/struc.xyz' 2026-02-10T11:42:55,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08/struc.xyz' 2026-02-10T11:42:55,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A/struc.xyz' 2026-02-10T11:42:55,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B/struc.xyz' 2026-02-10T11:42:55,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09/struc.xyz' 2026-02-10T11:42:55,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A/struc.xyz' 2026-02-10T11:42:55,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B/struc.xyz' 2026-02-10T11:42:55,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10/struc.xyz' 2026-02-10T11:42:55,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A/struc.xyz' 2026-02-10T11:42:55,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B/struc.xyz' 2026-02-10T11:42:55,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11/struc.xyz' 2026-02-10T11:42:55,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A/struc.xyz' 2026-02-10T11:42:55,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B/struc.xyz' 2026-02-10T11:42:55,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12/struc.xyz' 2026-02-10T11:42:55,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A/struc.xyz' 2026-02-10T11:42:55,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B/struc.xyz' 2026-02-10T11:42:55,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13/struc.xyz' 2026-02-10T11:42:55,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A/struc.xyz' 2026-02-10T11:42:55,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B/struc.xyz' 2026-02-10T11:42:55,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14/struc.xyz' 2026-02-10T11:42:55,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz' 2026-02-10T11:42:55,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B/struc.xyz' 2026-02-10T11:42:55,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15/struc.xyz' 2026-02-10T11:42:55,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A/struc.xyz' 2026-02-10T11:42:55,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B/struc.xyz' 2026-02-10T11:42:55,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16/struc.xyz' 2026-02-10T11:42:55,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A/struc.xyz' 2026-02-10T11:42:55,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B/struc.xyz' 2026-02-10T11:42:55,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17/struc.xyz' 2026-02-10T11:42:55,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A/struc.xyz' 2026-02-10T11:42:56,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B/struc.xyz' 2026-02-10T11:42:56,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18/struc.xyz' 2026-02-10T11:42:56,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A/struc.xyz' 2026-02-10T11:42:56,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B/struc.xyz' 2026-02-10T11:42:56,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19/struc.xyz' 2026-02-10T11:42:56,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A/struc.xyz' 2026-02-10T11:42:56,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B/struc.xyz' 2026-02-10T11:42:56,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20/struc.xyz' 2026-02-10T11:42:56,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A/struc.xyz' 2026-02-10T11:42:56,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B/struc.xyz' 2026-02-10T11:42:56,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21/struc.xyz' 2026-02-10T11:42:56,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A/struc.xyz' 2026-02-10T11:42:56,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B/struc.xyz' 2026-02-10T11:42:56,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22/struc.xyz' 2026-02-10T11:42:56,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A/struc.xyz' 2026-02-10T11:42:56,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B/struc.xyz' 2026-02-10T11:42:56,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23/struc.xyz' 2026-02-10T11:42:56,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A/struc.xyz' 2026-02-10T11:42:56,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B/struc.xyz' 2026-02-10T11:42:56,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24/struc.xyz' 2026-02-10T11:42:56,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A/struc.xyz' 2026-02-10T11:42:56,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B/struc.xyz' 2026-02-10T11:42:56,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25/struc.xyz' 2026-02-10T11:42:56,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A/struc.xyz' 2026-02-10T11:42:56,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B/struc.xyz' 2026-02-10T11:42:56,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26/struc.xyz' 2026-02-10T11:42:56,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A/struc.xyz' 2026-02-10T11:42:56,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B/struc.xyz' 2026-02-10T11:42:56,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27/struc.xyz' 2026-02-10T11:42:56,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A/struc.xyz' 2026-02-10T11:42:56,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B/struc.xyz' 2026-02-10T11:42:56,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28/struc.xyz' 2026-02-10T11:42:56,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A/struc.xyz' 2026-02-10T11:42:56,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B/struc.xyz' 2026-02-10T11:42:56,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29/struc.xyz' 2026-02-10T11:42:56,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A/struc.xyz' 2026-02-10T11:42:56,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz' 2026-02-10T11:42:56,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30/struc.xyz' 2026-02-10T11:42:56,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A/struc.xyz' 2026-02-10T11:42:56,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B/struc.xyz' 2026-02-10T11:42:56,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31/struc.xyz' 2026-02-10T11:42:56,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A/struc.xyz' 2026-02-10T11:42:56,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B/struc.xyz' 2026-02-10T11:42:56,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32/struc.xyz' 2026-02-10T11:42:56,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A/struc.xyz' 2026-02-10T11:42:56,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B/struc.xyz' 2026-02-10T11:42:56,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33/struc.xyz' 2026-02-10T11:42:56,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A/struc.xyz' 2026-02-10T11:42:56,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B/struc.xyz' 2026-02-10T11:42:56,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34/struc.xyz' 2026-02-10T11:42:56,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A/struc.xyz' 2026-02-10T11:42:56,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B/struc.xyz' 2026-02-10T11:42:56,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35/struc.xyz' 2026-02-10T11:42:56,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A/struc.xyz' 2026-02-10T11:42:56,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B/struc.xyz' 2026-02-10T11:42:56,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36/struc.xyz' 2026-02-10T11:42:56,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A/struc.xyz' 2026-02-10T11:42:56,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B/struc.xyz' 2026-02-10T11:42:56,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37/struc.xyz' 2026-02-10T11:42:56,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A/struc.xyz' 2026-02-10T11:42:56,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B/struc.xyz' 2026-02-10T11:42:56,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38/struc.xyz' 2026-02-10T11:42:56,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A/struc.xyz' 2026-02-10T11:42:56,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B/struc.xyz' 2026-02-10T11:42:56,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39/struc.xyz' 2026-02-10T11:42:56,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A/struc.xyz' 2026-02-10T11:42:56,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B/struc.xyz' 2026-02-10T11:42:56,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40/struc.xyz' 2026-02-10T11:42:56,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A/struc.xyz' 2026-02-10T11:42:56,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B/struc.xyz' 2026-02-10T11:42:56,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41/struc.xyz' 2026-02-10T11:42:56,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A/struc.xyz' 2026-02-10T11:42:56,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B/struc.xyz' 2026-02-10T11:42:56,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42/struc.xyz' 2026-02-10T11:42:56,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A/struc.xyz' 2026-02-10T11:42:56,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B/struc.xyz' 2026-02-10T11:42:56,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43/struc.xyz' 2026-02-10T11:42:56,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A/struc.xyz' 2026-02-10T11:42:56,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B/struc.xyz' 2026-02-10T11:42:56,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44/struc.xyz' 2026-02-10T11:42:56,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A/struc.xyz' 2026-02-10T11:42:56,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B/struc.xyz' 2026-02-10T11:42:56,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45/struc.xyz' 2026-02-10T11:42:56,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A/struc.xyz' 2026-02-10T11:42:56,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B/struc.xyz' 2026-02-10T11:42:56,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46/struc.xyz' 2026-02-10T11:42:56,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A/struc.xyz' 2026-02-10T11:42:56,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B/struc.xyz' 2026-02-10T11:42:56,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47/struc.xyz' 2026-02-10T11:42:56,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A/struc.xyz' 2026-02-10T11:42:56,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B/struc.xyz' 2026-02-10T11:42:56,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48/struc.xyz' 2026-02-10T11:42:56,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A/struc.xyz' 2026-02-10T11:42:56,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B/struc.xyz' 2026-02-10T11:42:56,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49/struc.xyz' 2026-02-10T11:42:56,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A/struc.xyz' 2026-02-10T11:42:56,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B/struc.xyz' 2026-02-10T11:42:56,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50/struc.xyz' 2026-02-10T11:42:56,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A/struc.xyz' 2026-02-10T11:42:56,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B/struc.xyz' 2026-02-10T11:42:56,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51/struc.xyz' 2026-02-10T11:42:56,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A/struc.xyz' 2026-02-10T11:42:56,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B/struc.xyz' 2026-02-10T11:42:56,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52/struc.xyz' 2026-02-10T11:42:56,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A/struc.xyz' 2026-02-10T11:42:56,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B/struc.xyz' 2026-02-10T11:42:56,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53/struc.xyz' 2026-02-10T11:42:56,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A/struc.xyz' 2026-02-10T11:42:56,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B/struc.xyz' 2026-02-10T11:42:56,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54/struc.xyz' 2026-02-10T11:42:56,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A/struc.xyz' 2026-02-10T11:42:56,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B/struc.xyz' 2026-02-10T11:42:56,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55/struc.xyz' 2026-02-10T11:42:56,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A/struc.xyz' 2026-02-10T11:42:56,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B/struc.xyz' 2026-02-10T11:42:56,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56/struc.xyz' 2026-02-10T11:42:56,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A/struc.xyz' 2026-02-10T11:42:56,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B/struc.xyz' 2026-02-10T11:42:56,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57/struc.xyz' 2026-02-10T11:42:56,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A/struc.xyz' 2026-02-10T11:42:56,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B/struc.xyz' 2026-02-10T11:42:56,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58/struc.xyz' 2026-02-10T11:42:56,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A/struc.xyz' 2026-02-10T11:42:56,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B/struc.xyz' 2026-02-10T11:42:56,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59/struc.xyz' 2026-02-10T11:42:56,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A/struc.xyz' 2026-02-10T11:42:56,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B/struc.xyz' 2026-02-10T11:42:56,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60/struc.xyz' 2026-02-10T11:42:56,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A/struc.xyz' 2026-02-10T11:42:56,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B/struc.xyz' 2026-02-10T11:42:56,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61/struc.xyz' 2026-02-10T11:42:56,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A/struc.xyz' 2026-02-10T11:42:56,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B/struc.xyz' 2026-02-10T11:42:56,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62/struc.xyz' 2026-02-10T11:42:56,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A/struc.xyz' 2026-02-10T11:42:56,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B/struc.xyz' 2026-02-10T11:42:56,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63/struc.xyz' 2026-02-10T11:42:56,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A/struc.xyz' 2026-02-10T11:42:56,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B/struc.xyz' 2026-02-10T11:42:56,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64/struc.xyz' 2026-02-10T11:42:56,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A/struc.xyz' 2026-02-10T11:42:56,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B/struc.xyz' 2026-02-10T11:42:56,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65/struc.xyz' 2026-02-10T11:42:56,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A/struc.xyz' 2026-02-10T11:42:56,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B/struc.xyz' 2026-02-10T11:42:56,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66/struc.xyz' 2026-02-10T11:42:56,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A/struc.xyz' 2026-02-10T11:42:56,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B/struc.xyz' 2026-02-10T11:42:56,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1/struc.xyz' 2026-02-10T11:42:56,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10/struc.xyz' 2026-02-10T11:42:56,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11/struc.xyz' 2026-02-10T11:42:56,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12/struc.xyz' 2026-02-10T11:42:56,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13/struc.xyz' 2026-02-10T11:42:56,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14/struc.xyz' 2026-02-10T11:42:56,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15/struc.xyz' 2026-02-10T11:42:56,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2/struc.xyz' 2026-02-10T11:42:56,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3/struc.xyz' 2026-02-10T11:42:56,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4/struc.xyz' 2026-02-10T11:42:56,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5/struc.xyz' 2026-02-10T11:42:56,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6/struc.xyz' 2026-02-10T11:42:56,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7/struc.xyz' 2026-02-10T11:42:56,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8/struc.xyz' 2026-02-10T11:42:56,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9/struc.xyz' 2026-02-10T11:42:56,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1/struc.xyz' 2026-02-10T11:42:56,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2/struc.xyz' 2026-02-10T11:42:56,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3/struc.xyz' 2026-02-10T11:42:56,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4/struc.xyz' 2026-02-10T11:42:56,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h/struc.xyz' 2026-02-10T11:42:56,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz' 2026-02-10T11:42:56,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz' 2026-02-10T11:42:56,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz' 2026-02-10T11:42:56,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz' 2026-02-10T11:42:56,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o/struc.xyz' 2026-02-10T11:42:56,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+/struc.xyz' 2026-02-10T11:42:56,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz' 2026-02-10T11:42:56,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz' 2026-02-10T11:42:56,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz' 2026-02-10T11:42:56,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz' 2026-02-10T11:42:56,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he/struc.xyz' 2026-02-10T11:42:56,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+/struc.xyz' 2026-02-10T11:42:56,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz' 2026-02-10T11:42:56,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz' 2026-02-10T11:42:56,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz' 2026-02-10T11:42:56,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz' 2026-02-10T11:42:56,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3/struc.xyz' 2026-02-10T11:42:56,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+/struc.xyz' 2026-02-10T11:42:56,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz' 2026-02-10T11:42:56,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz' 2026-02-10T11:42:56,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz' 2026-02-10T11:42:56,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz' 2026-02-10T11:42:56,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1/struc.xyz' 2026-02-10T11:42:56,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13/struc.xyz' 2026-02-10T11:42:56,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A/struc.xyz' 2026-02-10T11:42:56,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B/struc.xyz' 2026-02-10T11:42:56,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18/struc.xyz' 2026-02-10T11:42:56,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A/struc.xyz' 2026-02-10T11:42:56,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B/struc.xyz' 2026-02-10T11:42:56,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2/struc.xyz' 2026-02-10T11:42:56,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20/struc.xyz' 2026-02-10T11:42:56,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24/struc.xyz' 2026-02-10T11:42:56,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A/struc.xyz' 2026-02-10T11:42:56,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25/struc.xyz' 2026-02-10T11:42:56,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A/struc.xyz' 2026-02-10T11:42:56,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B/struc.xyz' 2026-02-10T11:42:56,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34/struc.xyz' 2026-02-10T11:42:56,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39/struc.xyz' 2026-02-10T11:42:56,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4/struc.xyz' 2026-02-10T11:42:56,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40/struc.xyz' 2026-02-10T11:42:56,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43/struc.xyz' 2026-02-10T11:42:56,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45/struc.xyz' 2026-02-10T11:42:56,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47/struc.xyz' 2026-02-10T11:42:56,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48/struc.xyz' 2026-02-10T11:42:56,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A/struc.xyz' 2026-02-10T11:42:56,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B/struc.xyz' 2026-02-10T11:42:56,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5/struc.xyz' 2026-02-10T11:42:56,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58/struc.xyz' 2026-02-10T11:42:56,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59/struc.xyz' 2026-02-10T11:42:56,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A/struc.xyz' 2026-02-10T11:42:56,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B/struc.xyz' 2026-02-10T11:42:56,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6/struc.xyz' 2026-02-10T11:42:56,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68/struc.xyz' 2026-02-10T11:42:56,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A/struc.xyz' 2026-02-10T11:42:56,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B/struc.xyz' 2026-02-10T11:42:56,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73/struc.xyz' 2026-02-10T11:42:56,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8/struc.xyz' 2026-02-10T11:42:56,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A/struc.xyz' 2026-02-10T11:42:56,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B/struc.xyz' 2026-02-10T11:42:56,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a/struc.xyz' 2026-02-10T11:42:56,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b/struc.xyz' 2026-02-10T11:42:56,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr/struc.xyz' 2026-02-10T11:42:56,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz' 2026-02-10T11:42:56,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4/struc.xyz' 2026-02-10T11:42:56,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20/struc.xyz' 2026-02-10T11:42:56,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12/struc.xyz' 2026-02-10T11:42:56,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n/struc.xyz' 2026-02-10T11:42:56,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14/struc.xyz' 2026-02-10T11:42:56,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n/struc.xyz' 2026-02-10T11:42:56,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz' 2026-02-10T11:42:56,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n/struc.xyz' 2026-02-10T11:42:56,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21/struc.xyz' 2026-02-10T11:42:56,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n/struc.xyz' 2026-02-10T11:42:56,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25/struc.xyz' 2026-02-10T11:42:56,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n/struc.xyz' 2026-02-10T11:42:56,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s/struc.xyz' 2026-02-10T11:42:56,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-/struc.xyz' 2026-02-10T11:42:56,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O/struc.xyz' 2026-02-10T11:42:56,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS/struc.xyz' 2026-02-10T11:42:56,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S/struc.xyz' 2026-02-10T11:42:56,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS/struc.xyz' 2026-02-10T11:42:56,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64/struc.xyz' 2026-02-10T11:42:56,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67/struc.xyz' 2026-02-10T11:42:56,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71/struc.xyz' 2026-02-10T11:42:56,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74/struc.xyz' 2026-02-10T11:42:56,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76/struc.xyz' 2026-02-10T11:42:56,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78/struc.xyz' 2026-02-10T11:42:56,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80/struc.xyz' 2026-02-10T11:42:56,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH/struc.xyz' 2026-02-10T11:42:56,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr/struc.xyz' 2026-02-10T11:42:56,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl/struc.xyz' 2026-02-10T11:42:56,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz' 2026-02-10T11:42:56,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm/struc.xyz' 2026-02-10T11:42:56,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O/struc.xyz' 2026-02-10T11:42:56,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1/struc.xyz' 2026-02-10T11:42:56,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20/struc.xyz' 2026-02-10T11:42:56,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH/struc.xyz' 2026-02-10T11:42:56,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl/struc.xyz' 2026-02-10T11:42:56,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02/struc.xyz' 2026-02-10T11:42:56,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10/struc.xyz' 2026-02-10T11:42:56,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17/struc.xyz' 2026-02-10T11:42:56,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al/struc.xyz' 2026-02-10T11:42:56,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl/struc.xyz' 2026-02-10T11:42:56,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3/struc.xyz' 2026-02-10T11:42:56,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar/struc.xyz' 2026-02-10T11:42:56,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2/struc.xyz' 2026-02-10T11:42:56,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3/struc.xyz' 2026-02-10T11:42:56,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4/struc.xyz' 2026-02-10T11:42:56,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b/struc.xyz' 2026-02-10T11:42:56,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2/struc.xyz' 2026-02-10T11:42:56,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be/struc.xyz' 2026-02-10T11:42:56,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+/struc.xyz' 2026-02-10T11:42:56,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+/struc.xyz' 2026-02-10T11:42:56,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c/struc.xyz' 2026-02-10T11:42:56,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2/struc.xyz' 2026-02-10T11:42:56,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar/struc.xyz' 2026-02-10T11:42:56,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne/struc.xyz' 2026-02-10T11:42:56,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p/struc.xyz' 2026-02-10T11:42:56,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca/struc.xyz' 2026-02-10T11:42:56,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao/struc.xyz' 2026-02-10T11:42:56,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2/struc.xyz' 2026-02-10T11:42:56,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2/struc.xyz' 2026-02-10T11:42:56,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s/struc.xyz' 2026-02-10T11:42:56,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp/struc.xyz' 2026-02-10T11:42:56,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3/struc.xyz' 2026-02-10T11:42:56,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f/struc.xyz' 2026-02-10T11:42:56,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl/struc.xyz' 2026-02-10T11:42:56,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2/struc.xyz' 2026-02-10T11:42:56,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf/struc.xyz' 2026-02-10T11:42:56,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f/struc.xyz' 2026-02-10T11:42:56,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+/struc.xyz' 2026-02-10T11:42:56,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic/struc.xyz' 2026-02-10T11:42:56,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h/struc.xyz' 2026-02-10T11:42:56,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2/struc.xyz' 2026-02-10T11:42:56,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25/struc.xyz' 2026-02-10T11:42:56,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5/struc.xyz' 2026-02-10T11:42:56,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75/struc.xyz' 2026-02-10T11:42:56,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2/struc.xyz' 2026-02-10T11:42:56,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis/struc.xyz' 2026-02-10T11:42:56,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans/struc.xyz' 2026-02-10T11:42:56,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p/struc.xyz' 2026-02-10T11:42:56,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s/struc.xyz' 2026-02-10T11:42:56,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2/struc.xyz' 2026-02-10T11:42:56,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis/struc.xyz' 2026-02-10T11:42:56,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+/struc.xyz' 2026-02-10T11:42:56,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2/struc.xyz' 2026-02-10T11:42:56,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl/struc.xyz' 2026-02-10T11:42:56,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp/struc.xyz' 2026-02-10T11:42:56,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn/struc.xyz' 2026-02-10T11:42:56,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts/struc.xyz' 2026-02-10T11:42:56,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco/struc.xyz' 2026-02-10T11:42:56,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots/struc.xyz' 2026-02-10T11:42:56,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he/struc.xyz' 2026-02-10T11:42:56,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+/struc.xyz' 2026-02-10T11:42:56,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf/struc.xyz' 2026-02-10T11:42:56,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr/struc.xyz' 2026-02-10T11:42:56,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe/struc.xyz' 2026-02-10T11:42:56,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts/struc.xyz' 2026-02-10T11:42:56,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2/struc.xyz' 2026-02-10T11:42:56,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts/struc.xyz' 2026-02-10T11:42:56,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc/struc.xyz' 2026-02-10T11:42:56,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn/struc.xyz' 2026-02-10T11:42:56,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo/struc.xyz' 2026-02-10T11:42:56,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k/struc.xyz' 2026-02-10T11:42:56,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf/struc.xyz' 2026-02-10T11:42:56,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr/struc.xyz' 2026-02-10T11:42:56,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2/struc.xyz' 2026-02-10T11:42:56,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3/struc.xyz' 2026-02-10T11:42:56,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg/struc.xyz' 2026-02-10T11:42:56,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+/struc.xyz' 2026-02-10T11:42:56,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs/struc.xyz' 2026-02-10T11:42:56,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne/struc.xyz' 2026-02-10T11:42:56,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz' 2026-02-10T11:42:56,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4/struc.xyz' 2026-02-10T11:42:56,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz' 2026-02-10T11:42:56,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz' 2026-02-10T11:42:56,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3/struc.xyz' 2026-02-10T11:42:56,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p/struc.xyz' 2026-02-10T11:42:56,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o/struc.xyz' 2026-02-10T11:42:56,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo/struc.xyz' 2026-02-10T11:42:56,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh/struc.xyz' 2026-02-10T11:42:56,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1/struc.xyz' 2026-02-10T11:42:56,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s/struc.xyz' 2026-02-10T11:42:56,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh/struc.xyz' 2026-02-10T11:42:56,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh/struc.xyz' 2026-02-10T11:42:56,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si/struc.xyz' 2026-02-10T11:42:56,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+/struc.xyz' 2026-02-10T11:42:56,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4/struc.xyz' 2026-02-10T11:42:56,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2/struc.xyz' 2026-02-10T11:42:56,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl/struc.xyz' 2026-02-10T11:42:56,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi/struc.xyz' 2026-02-10T11:42:56,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1/struc.xyz' 2026-02-10T11:42:56,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a/struc.xyz' 2026-02-10T11:42:56,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b/struc.xyz' 2026-02-10T11:42:56,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a/struc.xyz' 2026-02-10T11:42:56,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b/struc.xyz' 2026-02-10T11:42:56,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a/struc.xyz' 2026-02-10T11:42:56,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b/struc.xyz' 2026-02-10T11:42:56,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a/struc.xyz' 2026-02-10T11:42:56,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b/struc.xyz' 2026-02-10T11:42:56,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c/struc.xyz' 2026-02-10T11:42:56,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d/struc.xyz' 2026-02-10T11:42:56,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a/struc.xyz' 2026-02-10T11:42:56,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b/struc.xyz' 2026-02-10T11:42:56,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a/struc.xyz' 2026-02-10T11:42:56,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b/struc.xyz' 2026-02-10T11:42:56,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c/struc.xyz' 2026-02-10T11:42:56,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a/struc.xyz' 2026-02-10T11:42:56,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b/struc.xyz' 2026-02-10T11:42:56,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c/struc.xyz' 2026-02-10T11:42:56,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d/struc.xyz' 2026-02-10T11:42:56,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a/struc.xyz' 2026-02-10T11:42:56,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b/struc.xyz' 2026-02-10T11:42:56,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a/struc.xyz' 2026-02-10T11:42:56,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b/struc.xyz' 2026-02-10T11:42:56,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a/struc.xyz' 2026-02-10T11:42:56,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b/struc.xyz' 2026-02-10T11:42:56,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a/struc.xyz' 2026-02-10T11:42:56,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b/struc.xyz' 2026-02-10T11:42:56,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a/struc.xyz' 2026-02-10T11:42:56,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b/struc.xyz' 2026-02-10T11:42:56,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c/struc.xyz' 2026-02-10T11:42:56,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e/struc.xyz' 2026-02-10T11:42:56,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f/struc.xyz' 2026-02-10T11:42:56,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g/struc.xyz' 2026-02-10T11:42:56,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m/struc.xyz' 2026-02-10T11:42:56,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p/struc.xyz' 2026-02-10T11:42:56,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a/struc.xyz' 2026-02-10T11:42:56,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h/struc.xyz' 2026-02-10T11:42:56,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p/struc.xyz' 2026-02-10T11:42:56,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a/struc.xyz' 2026-02-10T11:42:56,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b/struc.xyz' 2026-02-10T11:42:56,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d/struc.xyz' 2026-02-10T11:42:56,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b/struc.xyz' 2026-02-10T11:42:56,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z/struc.xyz' 2026-02-10T11:42:56,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p/struc.xyz' 2026-02-10T11:42:56,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a/struc.xyz' 2026-02-10T11:42:56,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p/struc.xyz' 2026-02-10T11:42:56,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d/struc.xyz' 2026-02-10T11:42:56,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a/struc.xyz' 2026-02-10T11:42:56,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa/struc.xyz' 2026-02-10T11:42:56,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde/struc.xyz' 2026-02-10T11:42:56,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic/struc.xyz' 2026-02-10T11:42:56,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al/struc.xyz' 2026-02-10T11:42:56,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl/struc.xyz' 2026-02-10T11:42:56,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3/struc.xyz' 2026-02-10T11:42:56,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf/struc.xyz' 2026-02-10T11:42:56,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3/struc.xyz' 2026-02-10T11:42:56,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh/struc.xyz' 2026-02-10T11:42:56,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3/struc.xyz' 2026-02-10T11:42:56,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene/struc.xyz' 2026-02-10T11:42:56,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b/struc.xyz' 2026-02-10T11:42:56,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2/struc.xyz' 2026-02-10T11:42:56,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6/struc.xyz' 2026-02-10T11:42:56,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be/struc.xyz' 2026-02-10T11:42:56,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2/struc.xyz' 2026-02-10T11:42:56,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2/struc.xyz' 2026-02-10T11:42:56,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2/struc.xyz' 2026-02-10T11:42:56,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf/struc.xyz' 2026-02-10T11:42:56,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3/struc.xyz' 2026-02-10T11:42:56,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh/struc.xyz' 2026-02-10T11:42:56,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3/struc.xyz' 2026-02-10T11:42:56,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2/struc.xyz' 2026-02-10T11:42:56,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn/struc.xyz' 2026-02-10T11:42:56,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi/struc.xyz' 2026-02-10T11:42:56,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c/struc.xyz' 2026-02-10T11:42:56,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh/struc.xyz' 2026-02-10T11:42:56,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono/struc.xyz' 2026-02-10T11:42:56,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo/struc.xyz' 2026-02-10T11:42:56,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2/struc.xyz' 2026-02-10T11:42:56,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2/struc.xyz' 2026-02-10T11:42:56,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2/struc.xyz' 2026-02-10T11:42:56,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f/struc.xyz' 2026-02-10T11:42:56,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4/struc.xyz' 2026-02-10T11:42:56,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f/struc.xyz' 2026-02-10T11:42:56,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6/struc.xyz' 2026-02-10T11:42:56,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch/struc.xyz' 2026-02-10T11:42:56,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2/struc.xyz' 2026-02-10T11:42:56,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf/struc.xyz' 2026-02-10T11:42:56,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2/struc.xyz' 2026-02-10T11:42:56,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4/struc.xyz' 2026-02-10T11:42:56,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch/struc.xyz' 2026-02-10T11:42:56,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing/struc.xyz' 2026-02-10T11:42:56,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip/struc.xyz' 2026-02-10T11:42:56,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c/struc.xyz' 2026-02-10T11:42:56,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch/struc.xyz' 2026-02-10T11:42:56,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2/struc.xyz' 2026-02-10T11:42:56,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh/struc.xyz' 2026-02-10T11:42:56,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2/struc.xyz' 2026-02-10T11:42:56,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3/struc.xyz' 2026-02-10T11:42:56,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f/struc.xyz' 2026-02-10T11:42:56,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh/struc.xyz' 2026-02-10T11:42:56,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2/struc.xyz' 2026-02-10T11:42:56,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4/struc.xyz' 2026-02-10T11:42:56,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl/struc.xyz' 2026-02-10T11:42:56,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2/struc.xyz' 2026-02-10T11:42:56,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o/struc.xyz' 2026-02-10T11:42:56,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn/struc.xyz' 2026-02-10T11:42:56,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf/struc.xyz' 2026-02-10T11:42:56,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo/struc.xyz' 2026-02-10T11:42:56,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo/struc.xyz' 2026-02-10T11:42:56,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn/struc.xyz' 2026-02-10T11:42:56,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co/struc.xyz' 2026-02-10T11:42:56,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2/struc.xyz' 2026-02-10T11:42:56,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs/struc.xyz' 2026-02-10T11:42:56,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2/struc.xyz' 2026-02-10T11:42:56,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane/struc.xyz' 2026-02-10T11:42:56,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol/struc.xyz' 2026-02-10T11:42:56,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f/struc.xyz' 2026-02-10T11:42:56,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2/struc.xyz' 2026-02-10T11:42:56,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co/struc.xyz' 2026-02-10T11:42:56,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o/struc.xyz' 2026-02-10T11:42:56,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf/struc.xyz' 2026-02-10T11:42:56,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2/struc.xyz' 2026-02-10T11:42:56,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof/struc.xyz' 2026-02-10T11:42:56,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic/struc.xyz' 2026-02-10T11:42:56,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal/struc.xyz' 2026-02-10T11:42:56,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h/struc.xyz' 2026-02-10T11:42:56,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2/struc.xyz' 2026-02-10T11:42:56,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn/struc.xyz' 2026-02-10T11:42:56,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co/struc.xyz' 2026-02-10T11:42:56,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o/struc.xyz' 2026-02-10T11:42:56,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s/struc.xyz' 2026-02-10T11:42:56,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf/struc.xyz' 2026-02-10T11:42:56,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl/struc.xyz' 2026-02-10T11:42:56,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn/struc.xyz' 2026-02-10T11:42:56,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh/struc.xyz' 2026-02-10T11:42:56,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno/struc.xyz' 2026-02-10T11:42:56,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco/struc.xyz' 2026-02-10T11:42:56,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof/struc.xyz' 2026-02-10T11:42:56,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf/struc.xyz' 2026-02-10T11:42:56,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc/struc.xyz' 2026-02-10T11:42:56,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco/struc.xyz' 2026-02-10T11:42:56,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn/struc.xyz' 2026-02-10T11:42:56,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno/struc.xyz' 2026-02-10T11:42:56,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl/struc.xyz' 2026-02-10T11:42:56,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn/struc.xyz' 2026-02-10T11:42:56,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof/struc.xyz' 2026-02-10T11:42:56,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc/struc.xyz' 2026-02-10T11:42:56,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo/struc.xyz' 2026-02-10T11:42:56,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh/struc.xyz' 2026-02-10T11:42:56,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs/struc.xyz' 2026-02-10T11:42:56,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene/struc.xyz' 2026-02-10T11:42:56,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol/struc.xyz' 2026-02-10T11:42:56,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n/struc.xyz' 2026-02-10T11:42:56,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2/struc.xyz' 2026-02-10T11:42:56,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h/struc.xyz' 2026-02-10T11:42:56,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4/struc.xyz' 2026-02-10T11:42:56,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o/struc.xyz' 2026-02-10T11:42:56,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn/struc.xyz' 2026-02-10T11:42:56,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh/struc.xyz' 2026-02-10T11:42:56,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2/struc.xyz' 2026-02-10T11:42:56,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl/struc.xyz' 2026-02-10T11:42:56,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3/struc.xyz' 2026-02-10T11:42:56,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no/struc.xyz' 2026-02-10T11:42:56,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2/struc.xyz' 2026-02-10T11:42:56,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o/struc.xyz' 2026-02-10T11:42:56,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2/struc.xyz' 2026-02-10T11:42:56,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3/struc.xyz' 2026-02-10T11:42:56,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo/struc.xyz' 2026-02-10T11:42:56,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs/struc.xyz' 2026-02-10T11:42:56,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of/struc.xyz' 2026-02-10T11:42:56,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh/struc.xyz' 2026-02-10T11:42:56,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane/struc.xyz' 2026-02-10T11:42:56,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene/struc.xyz' 2026-02-10T11:42:56,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p/struc.xyz' 2026-02-10T11:42:56,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2/struc.xyz' 2026-02-10T11:42:56,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4/struc.xyz' 2026-02-10T11:42:56,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3/struc.xyz' 2026-02-10T11:42:56,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane/struc.xyz' 2026-02-10T11:42:56,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene/struc.xyz' 2026-02-10T11:42:56,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne/struc.xyz' 2026-02-10T11:42:56,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s/struc.xyz' 2026-02-10T11:42:56,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2/struc.xyz' 2026-02-10T11:42:56,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o/struc.xyz' 2026-02-10T11:42:56,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3/struc.xyz' 2026-02-10T11:42:56,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v/struc.xyz' 2026-02-10T11:42:56,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si/struc.xyz' 2026-02-10T11:42:56,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6/struc.xyz' 2026-02-10T11:42:56,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif/struc.xyz' 2026-02-10T11:42:56,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4/struc.xyz' 2026-02-10T11:42:56,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih/struc.xyz' 2026-02-10T11:42:56,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f/struc.xyz' 2026-02-10T11:42:56,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4/struc.xyz' 2026-02-10T11:42:56,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio/struc.xyz' 2026-02-10T11:42:56,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so/struc.xyz' 2026-02-10T11:42:56,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2/struc.xyz' 2026-02-10T11:42:56,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz' 2026-02-10T11:42:56,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh/struc.xyz' 2026-02-10T11:42:56,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh/struc.xyz' 2026-02-10T11:42:56,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono/struc.xyz' 2026-02-10T11:42:56,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo/struc.xyz' 2026-02-10T11:42:56,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2/struc.xyz' 2026-02-10T11:42:56,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O/struc.xyz' 2026-02-10T11:42:56,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2/struc.xyz' 2026-02-10T11:42:56,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20/struc.xyz' 2026-02-10T11:42:56,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es/struc.xyz' 2026-02-10T11:42:56,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc/struc.xyz' 2026-02-10T11:42:56,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs/struc.xyz' 2026-02-10T11:42:56,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3/struc.xyz' 2026-02-10T11:42:56,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4/struc.xyz' 2026-02-10T11:42:56,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5/struc.xyz' 2026-02-10T11:42:56,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6/struc.xyz' 2026-02-10T11:42:56,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b/struc.xyz' 2026-02-10T11:42:56,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c/struc.xyz' 2026-02-10T11:42:56,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2/struc.xyz' 2026-02-10T11:42:56,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d/struc.xyz' 2026-02-10T11:42:56,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4/struc.xyz' 2026-02-10T11:42:56,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op/struc.xyz' 2026-02-10T11:42:56,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O/struc.xyz' 2026-02-10T11:42:56,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2/struc.xyz' 2026-02-10T11:42:56,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3/struc.xyz' 2026-02-10T11:42:56,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz' 2026-02-10T11:42:56,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz' 2026-02-10T11:42:56,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz' 2026-02-10T11:42:56,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm/struc.xyz' 2026-02-10T11:42:56,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O/struc.xyz' 2026-02-10T11:42:56,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2/struc.xyz' 2026-02-10T11:42:56,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3/struc.xyz' 2026-02-10T11:42:56,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz' 2026-02-10T11:42:56,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz' 2026-02-10T11:42:56,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5/struc.xyz' 2026-02-10T11:42:56,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6/struc.xyz' 2026-02-10T11:42:57,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o/struc.xyz' 2026-02-10T11:42:57,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1/struc.xyz' 2026-02-10T11:42:57,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2/struc.xyz' 2026-02-10T11:42:57,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3/struc.xyz' 2026-02-10T11:42:57,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4/struc.xyz' 2026-02-10T11:42:57,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz' 2026-02-10T11:42:57,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6/struc.xyz' 2026-02-10T11:42:57,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7/struc.xyz' 2026-02-10T11:42:57,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8/struc.xyz' 2026-02-10T11:42:57,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9/struc.xyz' 2026-02-10T11:42:57,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1/struc.xyz' 2026-02-10T11:42:57,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o/struc.xyz' 2026-02-10T11:42:57,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2/struc.xyz' 2026-02-10T11:42:57,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o/struc.xyz' 2026-02-10T11:42:57,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3/struc.xyz' 2026-02-10T11:42:57,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o/struc.xyz' 2026-02-10T11:42:57,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4/struc.xyz' 2026-02-10T11:42:57,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o/struc.xyz' 2026-02-10T11:42:57,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5/struc.xyz' 2026-02-10T11:42:57,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o/struc.xyz' 2026-02-10T11:42:57,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6/struc.xyz' 2026-02-10T11:42:57,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o/struc.xyz' 2026-02-10T11:42:57,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7/struc.xyz' 2026-02-10T11:42:57,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o/struc.xyz' 2026-02-10T11:42:57,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8/struc.xyz' 2026-02-10T11:42:57,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o/struc.xyz' 2026-02-10T11:42:57,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9/struc.xyz' 2026-02-10T11:42:57,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o/struc.xyz' 2026-02-10T11:42:57,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22/struc.xyz' 2026-02-10T11:42:57,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2/struc.xyz' 2026-02-10T11:42:57,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s/struc.xyz' 2026-02-10T11:42:57,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz' 2026-02-10T11:42:57,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2/struc.xyz' 2026-02-10T11:42:57,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s/struc.xyz' 2026-02-10T11:42:57,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz' 2026-02-10T11:42:57,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2/struc.xyz' 2026-02-10T11:42:57,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s/struc.xyz' 2026-02-10T11:42:57,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz' 2026-02-10T11:42:57,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2/struc.xyz' 2026-02-10T11:42:57,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3/struc.xyz' 2026-02-10T11:42:57,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz' 2026-02-10T11:42:57,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2/struc.xyz' 2026-02-10T11:42:57,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3/struc.xyz' 2026-02-10T11:42:57,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz' 2026-02-10T11:42:57,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2/struc.xyz' 2026-02-10T11:42:57,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3/struc.xyz' 2026-02-10T11:42:57,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz' 2026-02-10T11:42:57,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2/struc.xyz' 2026-02-10T11:42:57,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3/struc.xyz' 2026-02-10T11:42:57,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz' 2026-02-10T11:42:57,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2/struc.xyz' 2026-02-10T11:42:57,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3/struc.xyz' 2026-02-10T11:42:57,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz' 2026-02-10T11:42:57,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2/struc.xyz' 2026-02-10T11:42:57,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3/struc.xyz' 2026-02-10T11:42:57,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz' 2026-02-10T11:42:57,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2/struc.xyz' 2026-02-10T11:42:57,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt' 2026-02-10T11:42:57,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt' 2026-02-10T11:42:57,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt' 2026-02-10T11:42:57,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt' 2026-02-10T11:42:57,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt' 2026-02-10T11:42:57,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt' 2026-02-10T11:42:57,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt' 2026-02-10T11:42:57,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt' 2026-02-10T11:42:57,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt' 2026-02-10T11:42:57,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt' 2026-02-10T11:42:57,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt' 2026-02-10T11:42:57,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt' 2026-02-10T11:42:57,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt' 2026-02-10T11:42:57,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt' 2026-02-10T11:42:57,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt' 2026-02-10T11:42:57,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt' 2026-02-10T11:42:57,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt' 2026-02-10T11:42:57,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt' 2026-02-10T11:42:57,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt' 2026-02-10T11:42:57,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt' 2026-02-10T11:42:57,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt' 2026-02-10T11:42:57,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt' 2026-02-10T11:42:57,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt' 2026-02-10T11:42:57,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt' 2026-02-10T11:42:57,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt' 2026-02-10T11:42:57,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt' 2026-02-10T11:42:57,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt' 2026-02-10T11:42:57,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt' 2026-02-10T11:42:57,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt' 2026-02-10T11:42:57,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt' 2026-02-10T11:42:57,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt' 2026-02-10T11:42:57,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt' 2026-02-10T11:42:57,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt' 2026-02-10T11:42:57,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt' 2026-02-10T11:42:57,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt' 2026-02-10T11:42:57,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt' 2026-02-10T11:42:57,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt' 2026-02-10T11:42:57,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt' 2026-02-10T11:42:57,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt' 2026-02-10T11:42:57,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt' 2026-02-10T11:42:57,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76.txt' 2026-02-10T11:42:57,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt' 2026-02-10T11:42:57,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt' 2026-02-10T11:42:57,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt' 2026-02-10T11:42:57,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt' 2026-02-10T11:42:57,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt' 2026-02-10T11:42:57,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt' 2026-02-10T11:42:57,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt' 2026-02-10T11:42:57,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_FH51.txt' 2026-02-10T11:42:57,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt' 2026-02-10T11:42:57,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt' 2026-02-10T11:42:57,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt' 2026-02-10T11:42:57,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt' 2026-02-10T11:42:57,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt' 2026-02-10T11:42:57,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt' 2026-02-10T11:42:57,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_IL16.txt' 2026-02-10T11:42:57,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_INV24.txt' 2026-02-10T11:42:57,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt' 2026-02-10T11:42:57,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt' 2026-02-10T11:42:57,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PA26.txt' 2026-02-10T11:42:57,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PArel.txt' 2026-02-10T11:42:57,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt' 2026-02-10T11:42:57,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PX13.txt' 2026-02-10T11:42:57,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt' 2026-02-10T11:42:57,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S22.txt' 2026-02-10T11:42:57,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S66.txt' 2026-02-10T11:42:57,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt' 2026-02-10T11:42:57,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt' 2026-02-10T11:42:57,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt' 2026-02-10T11:42:57,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt' 2026-02-10T11:42:57,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt' 2026-02-10T11:42:57,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt' 2026-02-10T11:42:57,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G/struc.xyz' 2026-02-10T11:42:57,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T/struc.xyz' 2026-02-10T11:42:57,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-/struc.xyz' 2026-02-10T11:42:57,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-/struc.xyz' 2026-02-10T11:42:57,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+/struc.xyz' 2026-02-10T11:42:57,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg/struc.xyz' 2026-02-10T11:42:57,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg/struc.xyz' 2026-02-10T11:42:57,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt/struc.xyz' 2026-02-10T11:42:57,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-/struc.xyz' 2026-02-10T11:42:57,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg/struc.xyz' 2026-02-10T11:42:57,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt/struc.xyz' 2026-02-10T11:42:57,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt/struc.xyz' 2026-02-10T11:42:57,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-/struc.xyz' 2026-02-10T11:42:57,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+/struc.xyz' 2026-02-10T11:42:57,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG/struc.xyz' 2026-02-10T11:42:57,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX/struc.xyz' 2026-02-10T11:42:57,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG/struc.xyz' 2026-02-10T11:42:57,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT/struc.xyz' 2026-02-10T11:42:57,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2/struc.xyz' 2026-02-10T11:42:57,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3/struc.xyz' 2026-02-10T11:42:57,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4/struc.xyz' 2026-02-10T11:42:57,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5/struc.xyz' 2026-02-10T11:42:57,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6/struc.xyz' 2026-02-10T11:42:57,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7/struc.xyz' 2026-02-10T11:42:57,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2/struc.xyz' 2026-02-10T11:42:57,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3/struc.xyz' 2026-02-10T11:42:57,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4/struc.xyz' 2026-02-10T11:42:57,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz' 2026-02-10T11:42:57,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6/struc.xyz' 2026-02-10T11:42:57,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7/struc.xyz' 2026-02-10T11:42:57,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1/struc.xyz' 2026-02-10T11:42:57,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10/struc.xyz' 2026-02-10T11:42:57,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A/struc.xyz' 2026-02-10T11:42:57,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B/struc.xyz' 2026-02-10T11:42:57,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11/struc.xyz' 2026-02-10T11:42:57,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A/struc.xyz' 2026-02-10T11:42:57,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B/struc.xyz' 2026-02-10T11:42:57,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12/struc.xyz' 2026-02-10T11:42:57,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A/struc.xyz' 2026-02-10T11:42:57,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B/struc.xyz' 2026-02-10T11:42:57,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13/struc.xyz' 2026-02-10T11:42:57,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A/struc.xyz' 2026-02-10T11:42:57,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B/struc.xyz' 2026-02-10T11:42:57,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14/struc.xyz' 2026-02-10T11:42:57,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A/struc.xyz' 2026-02-10T11:42:57,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B/struc.xyz' 2026-02-10T11:42:57,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15/struc.xyz' 2026-02-10T11:42:57,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A/struc.xyz' 2026-02-10T11:42:57,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B/struc.xyz' 2026-02-10T11:42:57,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16/struc.xyz' 2026-02-10T11:42:57,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A/struc.xyz' 2026-02-10T11:42:57,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B/struc.xyz' 2026-02-10T11:42:57,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17/struc.xyz' 2026-02-10T11:42:57,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A/struc.xyz' 2026-02-10T11:42:57,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B/struc.xyz' 2026-02-10T11:42:57,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18/struc.xyz' 2026-02-10T11:42:57,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A/struc.xyz' 2026-02-10T11:42:57,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B/struc.xyz' 2026-02-10T11:42:57,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19/struc.xyz' 2026-02-10T11:42:57,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A/struc.xyz' 2026-02-10T11:42:57,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B/struc.xyz' 2026-02-10T11:42:57,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A/struc.xyz' 2026-02-10T11:42:57,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B/struc.xyz' 2026-02-10T11:42:57,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2/struc.xyz' 2026-02-10T11:42:57,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20/struc.xyz' 2026-02-10T11:42:57,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A/struc.xyz' 2026-02-10T11:42:57,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B/struc.xyz' 2026-02-10T11:42:57,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21/struc.xyz' 2026-02-10T11:42:57,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A/struc.xyz' 2026-02-10T11:42:57,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B/struc.xyz' 2026-02-10T11:42:57,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A/struc.xyz' 2026-02-10T11:42:57,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B/struc.xyz' 2026-02-10T11:42:57,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3/struc.xyz' 2026-02-10T11:42:57,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A/struc.xyz' 2026-02-10T11:42:57,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B/struc.xyz' 2026-02-10T11:42:57,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4/struc.xyz' 2026-02-10T11:42:57,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A/struc.xyz' 2026-02-10T11:42:57,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B/struc.xyz' 2026-02-10T11:42:57,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5/struc.xyz' 2026-02-10T11:42:57,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A/struc.xyz' 2026-02-10T11:42:57,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B/struc.xyz' 2026-02-10T11:42:57,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6/struc.xyz' 2026-02-10T11:42:57,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A/struc.xyz' 2026-02-10T11:42:57,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B/struc.xyz' 2026-02-10T11:42:57,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7/struc.xyz' 2026-02-10T11:42:57,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A/struc.xyz' 2026-02-10T11:42:57,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B/struc.xyz' 2026-02-10T11:42:57,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8/struc.xyz' 2026-02-10T11:42:57,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A/struc.xyz' 2026-02-10T11:42:57,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz' 2026-02-10T11:42:57,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9/struc.xyz' 2026-02-10T11:42:57,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A/struc.xyz' 2026-02-10T11:42:57,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B/struc.xyz' 2026-02-10T11:42:57,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6/struc.xyz' 2026-02-10T11:42:57,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6/struc.xyz' 2026-02-10T11:42:57,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6/struc.xyz' 2026-02-10T11:42:57,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4/struc.xyz' 2026-02-10T11:42:57,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5/struc.xyz' 2026-02-10T11:42:57,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6/struc.xyz' 2026-02-10T11:42:57,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3/struc.xyz' 2026-02-10T11:42:57,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3/struc.xyz' 2026-02-10T11:42:57,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3/struc.xyz' 2026-02-10T11:42:57,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2/struc.xyz' 2026-02-10T11:42:57,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3/struc.xyz' 2026-02-10T11:42:57,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+/struc.xyz' 2026-02-10T11:42:57,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2/struc.xyz' 2026-02-10T11:42:57,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz' 2026-02-10T11:42:57,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4/struc.xyz' 2026-02-10T11:42:57,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me/struc.xyz' 2026-02-10T11:42:57,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c/struc.xyz' 2026-02-10T11:42:57,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4/struc.xyz' 2026-02-10T11:42:57,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch/struc.xyz' 2026-02-10T11:42:57,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8/struc.xyz' 2026-02-10T11:42:57,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n/struc.xyz' 2026-02-10T11:42:57,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h/struc.xyz' 2026-02-10T11:42:57,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me/struc.xyz' 2026-02-10T11:42:57,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2/struc.xyz' 2026-02-10T11:42:57,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+/struc.xyz' 2026-02-10T11:42:57,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2/struc.xyz' 2026-02-10T11:42:57,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2/struc.xyz' 2026-02-10T11:42:57,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8/struc.xyz' 2026-02-10T11:42:57,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be/struc.xyz' 2026-02-10T11:42:57,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef/struc.xyz' 2026-02-10T11:42:57,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo/struc.xyz' 2026-02-10T11:42:57,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca/struc.xyz' 2026-02-10T11:42:57,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao/struc.xyz' 2026-02-10T11:42:57,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f/struc.xyz' 2026-02-10T11:42:57,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h/struc.xyz' 2026-02-10T11:42:57,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf/struc.xyz' 2026-02-10T11:42:57,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k/struc.xyz' 2026-02-10T11:42:57,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf/struc.xyz' 2026-02-10T11:42:57,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li/struc.xyz' 2026-02-10T11:42:57,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif/struc.xyz' 2026-02-10T11:42:57,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio/struc.xyz' 2026-02-10T11:42:57,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg/struc.xyz' 2026-02-10T11:42:57,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo/struc.xyz' 2026-02-10T11:42:57,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs/struc.xyz' 2026-02-10T11:42:57,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na/struc.xyz' 2026-02-10T11:42:57,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao/struc.xyz' 2026-02-10T11:42:57,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o/struc.xyz' 2026-02-10T11:42:57,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s/struc.xyz' 2026-02-10T11:42:57,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab/struc.xyz' 2026-02-10T11:42:57,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac/struc.xyz' 2026-02-10T11:42:57,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag/struc.xyz' 2026-02-10T11:42:57,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai/struc.xyz' 2026-02-10T11:42:57,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak/struc.xyz' 2026-02-10T11:42:57,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak/struc.xyz' 2026-02-10T11:42:57,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz' 2026-02-10T11:42:57,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz' 2026-02-10T11:42:57,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby/struc.xyz' 2026-02-10T11:42:57,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci/struc.xyz' 2026-02-10T11:42:57,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab/struc.xyz' 2026-02-10T11:42:57,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae/struc.xyz' 2026-02-10T11:42:57,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz' 2026-02-10T11:42:57,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah/struc.xyz' 2026-02-10T11:42:57,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz' 2026-02-10T11:42:57,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad/struc.xyz' 2026-02-10T11:42:57,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau/struc.xyz' 2026-02-10T11:42:57,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay/struc.xyz' 2026-02-10T11:42:57,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz' 2026-02-10T11:42:57,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz' 2026-02-10T11:42:57,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag/struc.xyz' 2026-02-10T11:42:57,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah/struc.xyz' 2026-02-10T11:42:57,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai/struc.xyz' 2026-02-10T11:42:57,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal/struc.xyz' 2026-02-10T11:42:57,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao/struc.xyz' 2026-02-10T11:42:57,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai/struc.xyz' 2026-02-10T11:42:57,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal/struc.xyz' 2026-02-10T11:42:57,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan/struc.xyz' 2026-02-10T11:42:57,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap/struc.xyz' 2026-02-10T11:42:57,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat/struc.xyz' 2026-02-10T11:42:57,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad/struc.xyz' 2026-02-10T11:42:57,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal/struc.xyz' 2026-02-10T11:42:57,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar/struc.xyz' 2026-02-10T11:42:57,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav/struc.xyz' 2026-02-10T11:42:57,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz' 2026-02-10T11:42:57,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab/struc.xyz' 2026-02-10T11:42:57,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac/struc.xyz' 2026-02-10T11:42:57,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad/struc.xyz' 2026-02-10T11:42:57,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae/struc.xyz' 2026-02-10T11:42:57,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag/struc.xyz' 2026-02-10T11:42:57,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah/struc.xyz' 2026-02-10T11:42:57,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam/struc.xyz' 2026-02-10T11:42:57,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz' 2026-02-10T11:42:57,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau/struc.xyz' 2026-02-10T11:42:57,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav/struc.xyz' 2026-02-10T11:42:57,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae/struc.xyz' 2026-02-10T11:42:57,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag/struc.xyz' 2026-02-10T11:42:57,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz' 2026-02-10T11:42:57,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak/struc.xyz' 2026-02-10T11:42:57,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz' 2026-02-10T11:42:57,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad/struc.xyz' 2026-02-10T11:42:57,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae/struc.xyz' 2026-02-10T11:42:57,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap/struc.xyz' 2026-02-10T11:42:57,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz' 2026-02-10T11:42:57,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz' 2026-02-10T11:42:57,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan/struc.xyz' 2026-02-10T11:42:57,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao/struc.xyz' 2026-02-10T11:42:57,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap/struc.xyz' 2026-02-10T11:42:57,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas/struc.xyz' 2026-02-10T11:42:57,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat/struc.xyz' 2026-02-10T11:42:57,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag/struc.xyz' 2026-02-10T11:42:57,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav/struc.xyz' 2026-02-10T11:42:57,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf/struc.xyz' 2026-02-10T11:42:57,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm/struc.xyz' 2026-02-10T11:42:57,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo/struc.xyz' 2026-02-10T11:42:57,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab/struc.xyz' 2026-02-10T11:42:57,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal/struc.xyz' 2026-02-10T11:42:57,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan/struc.xyz' 2026-02-10T11:42:57,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar/struc.xyz' 2026-02-10T11:42:57,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz' 2026-02-10T11:42:57,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab/struc.xyz' 2026-02-10T11:42:57,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac/struc.xyz' 2026-02-10T11:42:57,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad/struc.xyz' 2026-02-10T11:42:57,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae/struc.xyz' 2026-02-10T11:42:57,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz' 2026-02-10T11:42:57,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad/struc.xyz' 2026-02-10T11:42:57,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf/struc.xyz' 2026-02-10T11:42:57,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah/struc.xyz' 2026-02-10T11:42:57,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak/struc.xyz' 2026-02-10T11:42:57,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar/struc.xyz' 2026-02-10T11:42:57,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab/struc.xyz' 2026-02-10T11:42:57,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag/struc.xyz' 2026-02-10T11:42:57,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah/struc.xyz' 2026-02-10T11:42:57,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal/struc.xyz' 2026-02-10T11:42:57,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq/struc.xyz' 2026-02-10T11:42:57,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac/struc.xyz' 2026-02-10T11:42:57,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz' 2026-02-10T11:42:57,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag/struc.xyz' 2026-02-10T11:42:57,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah/struc.xyz' 2026-02-10T11:42:57,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao/struc.xyz' 2026-02-10T11:42:57,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab/struc.xyz' 2026-02-10T11:42:57,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag/struc.xyz' 2026-02-10T11:42:57,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah/struc.xyz' 2026-02-10T11:42:57,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan/struc.xyz' 2026-02-10T11:42:57,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar/struc.xyz' 2026-02-10T11:42:57,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad/struc.xyz' 2026-02-10T11:42:57,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz' 2026-02-10T11:42:57,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah/struc.xyz' 2026-02-10T11:42:57,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz' 2026-02-10T11:42:57,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak/struc.xyz' 2026-02-10T11:42:57,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5/struc.xyz' 2026-02-10T11:42:57,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6/struc.xyz' 2026-02-10T11:42:57,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8/struc.xyz' 2026-02-10T11:42:57,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH/struc.xyz' 2026-02-10T11:42:57,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4/struc.xyz' 2026-02-10T11:42:57,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2/struc.xyz' 2026-02-10T11:42:57,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O/struc.xyz' 2026-02-10T11:42:57,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S/struc.xyz' 2026-02-10T11:42:57,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS/struc.xyz' 2026-02-10T11:42:57,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H/struc.xyz' 2026-02-10T11:42:57,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2/struc.xyz' 2026-02-10T11:42:57,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH/struc.xyz' 2026-02-10T11:42:57,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2/struc.xyz' 2026-02-10T11:42:57,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3/struc.xyz' 2026-02-10T11:42:57,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O/struc.xyz' 2026-02-10T11:42:57,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2/struc.xyz' 2026-02-10T11:42:57,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3/struc.xyz' 2026-02-10T11:42:57,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01/struc.xyz' 2026-02-10T11:42:57,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02/struc.xyz' 2026-02-10T11:42:57,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03/struc.xyz' 2026-02-10T11:42:57,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04/struc.xyz' 2026-02-10T11:42:57,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05/struc.xyz' 2026-02-10T11:42:57,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06/struc.xyz' 2026-02-10T11:42:57,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07/struc.xyz' 2026-02-10T11:42:57,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08/struc.xyz' 2026-02-10T11:42:57,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09/struc.xyz' 2026-02-10T11:42:57,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10/struc.xyz' 2026-02-10T11:42:57,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11/struc.xyz' 2026-02-10T11:42:57,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12/struc.xyz' 2026-02-10T11:42:57,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13/struc.xyz' 2026-02-10T11:42:57,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14/struc.xyz' 2026-02-10T11:42:57,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15/struc.xyz' 2026-02-10T11:42:57,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16/struc.xyz' 2026-02-10T11:42:57,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17/struc.xyz' 2026-02-10T11:42:57,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18/struc.xyz' 2026-02-10T11:42:57,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19/struc.xyz' 2026-02-10T11:42:57,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20/struc.xyz' 2026-02-10T11:42:57,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21/struc.xyz' 2026-02-10T11:42:57,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22/struc.xyz' 2026-02-10T11:42:57,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4/struc.xyz' 2026-02-10T11:42:57,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5/struc.xyz' 2026-02-10T11:42:57,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts/struc.xyz' 2026-02-10T11:42:57,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7/struc.xyz' 2026-02-10T11:42:57,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts/struc.xyz' 2026-02-10T11:42:57,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3/struc.xyz' 2026-02-10T11:42:57,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl/struc.xyz' 2026-02-10T11:42:57,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f/struc.xyz' 2026-02-10T11:42:57,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts/struc.xyz' 2026-02-10T11:42:57,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh/struc.xyz' 2026-02-10T11:42:57,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl/struc.xyz' 2026-02-10T11:42:57,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-/struc.xyz' 2026-02-10T11:42:57,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp/struc.xyz' 2026-02-10T11:42:57,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts/struc.xyz' 2026-02-10T11:42:57,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf/struc.xyz' 2026-02-10T11:42:57,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co/struc.xyz' 2026-02-10T11:42:57,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f/struc.xyz' 2026-02-10T11:42:57,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-/struc.xyz' 2026-02-10T11:42:57,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2/struc.xyz' 2026-02-10T11:42:57,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1/struc.xyz' 2026-02-10T11:42:57,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2/struc.xyz' 2026-02-10T11:42:57,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts/struc.xyz' 2026-02-10T11:42:57,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp/struc.xyz' 2026-02-10T11:42:57,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts/struc.xyz' 2026-02-10T11:42:57,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h/struc.xyz' 2026-02-10T11:42:57,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts/struc.xyz' 2026-02-10T11:42:57,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl/struc.xyz' 2026-02-10T11:42:57,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts/struc.xyz' 2026-02-10T11:42:57,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn/struc.xyz' 2026-02-10T11:42:57,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts/struc.xyz' 2026-02-10T11:42:57,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco/struc.xyz' 2026-02-10T11:42:57,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots/struc.xyz' 2026-02-10T11:42:57,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf/struc.xyz' 2026-02-10T11:42:57,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts/struc.xyz' 2026-02-10T11:42:57,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts/struc.xyz' 2026-02-10T11:42:57,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts/struc.xyz' 2026-02-10T11:42:57,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2/struc.xyz' 2026-02-10T11:42:57,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts/struc.xyz' 2026-02-10T11:42:57,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc/struc.xyz' 2026-02-10T11:42:57,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1/struc.xyz' 2026-02-10T11:42:57,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2/struc.xyz' 2026-02-10T11:42:57,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts/struc.xyz' 2026-02-10T11:42:57,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2/struc.xyz' 2026-02-10T11:42:57,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o/struc.xyz' 2026-02-10T11:42:57,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts/struc.xyz' 2026-02-10T11:42:57,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh/struc.xyz' 2026-02-10T11:42:57,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-/struc.xyz' 2026-02-10T11:42:57,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5/struc.xyz' 2026-02-10T11:42:57,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6/struc.xyz' 2026-02-10T11:42:57,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8/struc.xyz' 2026-02-10T11:42:57,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH/struc.xyz' 2026-02-10T11:42:57,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4/struc.xyz' 2026-02-10T11:42:57,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2/struc.xyz' 2026-02-10T11:42:57,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O/struc.xyz' 2026-02-10T11:42:57,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S/struc.xyz' 2026-02-10T11:42:57,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS/struc.xyz' 2026-02-10T11:42:57,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H/struc.xyz' 2026-02-10T11:42:57,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2/struc.xyz' 2026-02-10T11:42:57,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH/struc.xyz' 2026-02-10T11:42:57,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2/struc.xyz' 2026-02-10T11:42:57,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3/struc.xyz' 2026-02-10T11:42:57,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O/struc.xyz' 2026-02-10T11:42:57,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2/struc.xyz' 2026-02-10T11:42:57,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3/struc.xyz' 2026-02-10T11:42:57,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01/struc.xyz' 2026-02-10T11:42:57,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02/struc.xyz' 2026-02-10T11:42:57,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03/struc.xyz' 2026-02-10T11:42:57,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04/struc.xyz' 2026-02-10T11:42:57,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05/struc.xyz' 2026-02-10T11:42:57,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06/struc.xyz' 2026-02-10T11:42:57,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07/struc.xyz' 2026-02-10T11:42:57,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08/struc.xyz' 2026-02-10T11:42:57,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09/struc.xyz' 2026-02-10T11:42:57,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10/struc.xyz' 2026-02-10T11:42:57,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11/struc.xyz' 2026-02-10T11:42:57,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12/struc.xyz' 2026-02-10T11:42:57,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13/struc.xyz' 2026-02-10T11:42:57,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14/struc.xyz' 2026-02-10T11:42:57,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15/struc.xyz' 2026-02-10T11:42:57,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16/struc.xyz' 2026-02-10T11:42:57,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17/struc.xyz' 2026-02-10T11:42:57,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18/struc.xyz' 2026-02-10T11:42:57,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19/struc.xyz' 2026-02-10T11:42:57,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20/struc.xyz' 2026-02-10T11:42:57,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21/struc.xyz' 2026-02-10T11:42:57,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22/struc.xyz' 2026-02-10T11:42:57,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4/struc.xyz' 2026-02-10T11:42:57,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5/struc.xyz' 2026-02-10T11:42:57,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts/struc.xyz' 2026-02-10T11:42:57,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7/struc.xyz' 2026-02-10T11:42:57,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts/struc.xyz' 2026-02-10T11:42:57,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3/struc.xyz' 2026-02-10T11:42:57,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl/struc.xyz' 2026-02-10T11:42:57,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f/struc.xyz' 2026-02-10T11:42:57,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts/struc.xyz' 2026-02-10T11:42:57,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh/struc.xyz' 2026-02-10T11:42:57,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl/struc.xyz' 2026-02-10T11:42:57,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-/struc.xyz' 2026-02-10T11:42:57,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp/struc.xyz' 2026-02-10T11:42:57,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts/struc.xyz' 2026-02-10T11:42:57,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf/struc.xyz' 2026-02-10T11:42:57,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co/struc.xyz' 2026-02-10T11:42:57,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f/struc.xyz' 2026-02-10T11:42:57,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-/struc.xyz' 2026-02-10T11:42:57,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2/struc.xyz' 2026-02-10T11:42:57,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz' 2026-02-10T11:42:57,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz' 2026-02-10T11:42:57,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts/struc.xyz' 2026-02-10T11:42:57,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp/struc.xyz' 2026-02-10T11:42:57,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts/struc.xyz' 2026-02-10T11:42:57,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h/struc.xyz' 2026-02-10T11:42:57,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts/struc.xyz' 2026-02-10T11:42:57,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl/struc.xyz' 2026-02-10T11:42:57,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts/struc.xyz' 2026-02-10T11:42:57,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn/struc.xyz' 2026-02-10T11:42:57,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts/struc.xyz' 2026-02-10T11:42:57,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco/struc.xyz' 2026-02-10T11:42:57,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots/struc.xyz' 2026-02-10T11:42:57,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf/struc.xyz' 2026-02-10T11:42:57,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts/struc.xyz' 2026-02-10T11:42:57,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts/struc.xyz' 2026-02-10T11:42:57,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts/struc.xyz' 2026-02-10T11:42:57,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2/struc.xyz' 2026-02-10T11:42:57,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts/struc.xyz' 2026-02-10T11:42:57,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc/struc.xyz' 2026-02-10T11:42:57,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz' 2026-02-10T11:42:57,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz' 2026-02-10T11:42:57,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts/struc.xyz' 2026-02-10T11:42:57,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2/struc.xyz' 2026-02-10T11:42:57,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o/struc.xyz' 2026-02-10T11:42:57,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts/struc.xyz' 2026-02-10T11:42:57,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh/struc.xyz' 2026-02-10T11:42:57,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-/struc.xyz' 2026-02-10T11:42:57,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1/struc.xyz' 2026-02-10T11:42:57,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10/struc.xyz' 2026-02-10T11:42:57,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2/struc.xyz' 2026-02-10T11:42:57,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3/struc.xyz' 2026-02-10T11:42:57,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4/struc.xyz' 2026-02-10T11:42:57,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5/struc.xyz' 2026-02-10T11:42:57,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6/struc.xyz' 2026-02-10T11:42:57,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7/struc.xyz' 2026-02-10T11:42:57,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8/struc.xyz' 2026-02-10T11:42:57,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9/struc.xyz' 2026-02-10T11:42:57,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1/struc.xyz' 2026-02-10T11:42:57,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10/struc.xyz' 2026-02-10T11:42:57,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2/struc.xyz' 2026-02-10T11:42:57,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3/struc.xyz' 2026-02-10T11:42:57,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4/struc.xyz' 2026-02-10T11:42:57,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5/struc.xyz' 2026-02-10T11:42:57,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6/struc.xyz' 2026-02-10T11:42:57,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7/struc.xyz' 2026-02-10T11:42:57,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8/struc.xyz' 2026-02-10T11:42:57,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9/struc.xyz' 2026-02-10T11:42:57,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r/struc.xyz' 2026-02-10T11:42:57,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r/struc.xyz' 2026-02-10T11:42:57,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts/struc.xyz' 2026-02-10T11:42:57,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r/struc.xyz' 2026-02-10T11:42:57,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts/struc.xyz' 2026-02-10T11:42:57,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r/struc.xyz' 2026-02-10T11:42:57,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts/struc.xyz' 2026-02-10T11:42:57,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r/struc.xyz' 2026-02-10T11:42:57,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts/struc.xyz' 2026-02-10T11:42:57,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r/struc.xyz' 2026-02-10T11:42:57,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts/struc.xyz' 2026-02-10T11:42:57,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts/struc.xyz' 2026-02-10T11:42:57,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r/struc.xyz' 2026-02-10T11:42:57,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts/struc.xyz' 2026-02-10T11:42:57,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts/struc.xyz' 2026-02-10T11:42:57,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r/struc.xyz' 2026-02-10T11:42:57,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts/struc.xyz' 2026-02-10T11:42:57,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz' 2026-02-10T11:42:57,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz' 2026-02-10T11:42:57,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz' 2026-02-10T11:42:57,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz' 2026-02-10T11:42:57,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz' 2026-02-10T11:42:57,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4/struc.xyz' 2026-02-10T11:42:57,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1/struc.xyz' 2026-02-10T11:42:57,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2/struc.xyz' 2026-02-10T11:42:57,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3/struc.xyz' 2026-02-10T11:42:57,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4/struc.xyz' 2026-02-10T11:42:57,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5/struc.xyz' 2026-02-10T11:42:57,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6/struc.xyz' 2026-02-10T11:42:57,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7/struc.xyz' 2026-02-10T11:42:58,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8/struc.xyz' 2026-02-10T11:42:58,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9/struc.xyz' 2026-02-10T11:42:58,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a/struc.xyz' 2026-02-10T11:42:58,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a/struc.xyz' 2026-02-10T11:42:58,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a/struc.xyz' 2026-02-10T11:42:58,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a/struc.xyz' 2026-02-10T11:42:58,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a/struc.xyz' 2026-02-10T11:42:58,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a/struc.xyz' 2026-02-10T11:42:58,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a/struc.xyz' 2026-02-10T11:42:58,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a/struc.xyz' 2026-02-10T11:42:58,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a/struc.xyz' 2026-02-10T11:42:58,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz' 2026-02-10T11:42:58,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz' 2026-02-10T11:42:58,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene/struc.xyz' 2026-02-10T11:42:58,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene/struc.xyz' 2026-02-10T11:42:58,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz' 2026-02-10T11:42:58,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene/struc.xyz' 2026-02-10T11:42:58,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene/struc.xyz' 2026-02-10T11:42:58,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1/struc.xyz' 2026-02-10T11:42:58,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10/struc.xyz' 2026-02-10T11:42:58,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11/struc.xyz' 2026-02-10T11:42:58,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2/struc.xyz' 2026-02-10T11:42:58,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3/struc.xyz' 2026-02-10T11:42:58,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4/struc.xyz' 2026-02-10T11:42:58,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5/struc.xyz' 2026-02-10T11:42:58,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6/struc.xyz' 2026-02-10T11:42:58,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7/struc.xyz' 2026-02-10T11:42:58,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8/struc.xyz' 2026-02-10T11:42:58,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9/struc.xyz' 2026-02-10T11:42:58,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz' 2026-02-10T11:42:58,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz' 2026-02-10T11:42:58,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC/struc.xyz' 2026-02-10T11:42:58,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz' 2026-02-10T11:42:58,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz' 2026-02-10T11:42:58,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS/struc.xyz' 2026-02-10T11:42:58,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti/struc.xyz' 2026-02-10T11:42:58,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn/struc.xyz' 2026-02-10T11:42:58,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl/struc.xyz' 2026-02-10T11:42:58,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz' 2026-02-10T11:42:58,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz' 2026-02-10T11:42:58,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz' 2026-02-10T11:42:58,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz' 2026-02-10T11:42:58,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS/struc.xyz' 2026-02-10T11:42:58,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis/struc.xyz' 2026-02-10T11:42:58,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans/struc.xyz' 2026-02-10T11:42:58,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl/struc.xyz' 2026-02-10T11:42:58,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st/struc.xyz' 2026-02-10T11:42:58,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz' 2026-02-10T11:42:58,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz' 2026-02-10T11:42:58,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz' 2026-02-10T11:42:58,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz' 2026-02-10T11:42:58,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2/struc.xyz' 2026-02-10T11:42:58,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis/struc.xyz' 2026-02-10T11:42:58,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans/struc.xyz' 2026-02-10T11:42:58,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2/struc.xyz' 2026-02-10T11:42:58,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis/struc.xyz' 2026-02-10T11:42:58,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans/struc.xyz' 2026-02-10T11:42:58,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl/struc.xyz' 2026-02-10T11:42:58,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st/struc.xyz' 2026-02-10T11:42:58,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz' 2026-02-10T11:42:58,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st/struc.xyz' 2026-02-10T11:42:58,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz' 2026-02-10T11:42:58,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz' 2026-02-10T11:42:58,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1/struc.xyz' 2026-02-10T11:42:58,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz' 2026-02-10T11:42:58,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz' 2026-02-10T11:42:58,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz' 2026-02-10T11:42:58,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0/struc.xyz' 2026-02-10T11:42:58,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120/struc.xyz' 2026-02-10T11:42:58,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180/struc.xyz' 2026-02-10T11:42:58,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60/struc.xyz' 2026-02-10T11:42:58,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1/struc.xyz' 2026-02-10T11:42:58,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2/struc.xyz' 2026-02-10T11:42:58,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6/struc.xyz' 2026-02-10T11:42:58,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3/struc.xyz' 2026-02-10T11:42:58,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4/struc.xyz' 2026-02-10T11:42:58,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5/struc.xyz' 2026-02-10T11:42:58,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4/struc.xyz' 2026-02-10T11:42:58,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1/struc.xyz' 2026-02-10T11:42:58,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10/struc.xyz' 2026-02-10T11:42:58,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11/struc.xyz' 2026-02-10T11:42:58,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12/struc.xyz' 2026-02-10T11:42:58,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13/struc.xyz' 2026-02-10T11:42:58,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14/struc.xyz' 2026-02-10T11:42:58,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15/struc.xyz' 2026-02-10T11:42:58,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2/struc.xyz' 2026-02-10T11:42:58,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3/struc.xyz' 2026-02-10T11:42:58,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4/struc.xyz' 2026-02-10T11:42:58,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5/struc.xyz' 2026-02-10T11:42:58,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6/struc.xyz' 2026-02-10T11:42:58,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7/struc.xyz' 2026-02-10T11:42:58,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8/struc.xyz' 2026-02-10T11:42:58,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9/struc.xyz' 2026-02-10T11:42:58,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1/struc.xyz' 2026-02-10T11:42:58,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10/struc.xyz' 2026-02-10T11:42:58,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11/struc.xyz' 2026-02-10T11:42:58,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12/struc.xyz' 2026-02-10T11:42:58,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13/struc.xyz' 2026-02-10T11:42:58,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14/struc.xyz' 2026-02-10T11:42:58,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15/struc.xyz' 2026-02-10T11:42:58,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16/struc.xyz' 2026-02-10T11:42:58,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2/struc.xyz' 2026-02-10T11:42:58,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3/struc.xyz' 2026-02-10T11:42:58,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4/struc.xyz' 2026-02-10T11:42:58,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5/struc.xyz' 2026-02-10T11:42:58,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6/struc.xyz' 2026-02-10T11:42:58,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7/struc.xyz' 2026-02-10T11:42:58,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8/struc.xyz' 2026-02-10T11:42:58,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9/struc.xyz' 2026-02-10T11:42:58,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1/struc.xyz' 2026-02-10T11:42:58,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10/struc.xyz' 2026-02-10T11:42:58,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11/struc.xyz' 2026-02-10T11:42:58,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12/struc.xyz' 2026-02-10T11:42:58,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13/struc.xyz' 2026-02-10T11:42:58,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14/struc.xyz' 2026-02-10T11:42:58,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15/struc.xyz' 2026-02-10T11:42:58,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16/struc.xyz' 2026-02-10T11:42:58,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17/struc.xyz' 2026-02-10T11:42:58,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18/struc.xyz' 2026-02-10T11:42:58,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19/struc.xyz' 2026-02-10T11:42:58,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2/struc.xyz' 2026-02-10T11:42:58,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20/struc.xyz' 2026-02-10T11:42:58,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21/struc.xyz' 2026-02-10T11:42:58,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22/struc.xyz' 2026-02-10T11:42:58,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23/struc.xyz' 2026-02-10T11:42:58,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24/struc.xyz' 2026-02-10T11:42:58,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25/struc.xyz' 2026-02-10T11:42:58,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26/struc.xyz' 2026-02-10T11:42:58,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27/struc.xyz' 2026-02-10T11:42:58,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28/struc.xyz' 2026-02-10T11:42:58,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29/struc.xyz' 2026-02-10T11:42:58,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3/struc.xyz' 2026-02-10T11:42:58,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30/struc.xyz' 2026-02-10T11:42:58,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31/struc.xyz' 2026-02-10T11:42:58,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32/struc.xyz' 2026-02-10T11:42:58,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33/struc.xyz' 2026-02-10T11:42:58,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34/struc.xyz' 2026-02-10T11:42:58,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35/struc.xyz' 2026-02-10T11:42:58,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36/struc.xyz' 2026-02-10T11:42:58,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37/struc.xyz' 2026-02-10T11:42:58,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38/struc.xyz' 2026-02-10T11:42:58,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39/struc.xyz' 2026-02-10T11:42:58,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4/struc.xyz' 2026-02-10T11:42:58,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40/struc.xyz' 2026-02-10T11:42:58,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41/struc.xyz' 2026-02-10T11:42:58,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42/struc.xyz' 2026-02-10T11:42:58,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43/struc.xyz' 2026-02-10T11:42:58,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44/struc.xyz' 2026-02-10T11:42:58,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45/struc.xyz' 2026-02-10T11:42:58,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46/struc.xyz' 2026-02-10T11:42:58,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47/struc.xyz' 2026-02-10T11:42:58,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48/struc.xyz' 2026-02-10T11:42:58,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49/struc.xyz' 2026-02-10T11:42:58,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5/struc.xyz' 2026-02-10T11:42:58,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50/struc.xyz' 2026-02-10T11:42:58,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51/struc.xyz' 2026-02-10T11:42:58,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52/struc.xyz' 2026-02-10T11:42:58,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53/struc.xyz' 2026-02-10T11:42:58,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54/struc.xyz' 2026-02-10T11:42:58,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55/struc.xyz' 2026-02-10T11:42:58,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56/struc.xyz' 2026-02-10T11:42:58,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57/struc.xyz' 2026-02-10T11:42:58,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58/struc.xyz' 2026-02-10T11:42:58,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59/struc.xyz' 2026-02-10T11:42:58,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6/struc.xyz' 2026-02-10T11:42:58,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60/struc.xyz' 2026-02-10T11:42:58,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61/struc.xyz' 2026-02-10T11:42:58,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62/struc.xyz' 2026-02-10T11:42:58,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63/struc.xyz' 2026-02-10T11:42:58,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64/struc.xyz' 2026-02-10T11:42:58,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65/struc.xyz' 2026-02-10T11:42:58,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7/struc.xyz' 2026-02-10T11:42:58,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8/struc.xyz' 2026-02-10T11:42:58,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9/struc.xyz' 2026-02-10T11:42:58,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1/struc.xyz' 2026-02-10T11:42:58,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10/struc.xyz' 2026-02-10T11:42:58,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2/struc.xyz' 2026-02-10T11:42:58,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3/struc.xyz' 2026-02-10T11:42:58,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4/struc.xyz' 2026-02-10T11:42:58,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5/struc.xyz' 2026-02-10T11:42:58,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6/struc.xyz' 2026-02-10T11:42:58,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7/struc.xyz' 2026-02-10T11:42:58,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8/struc.xyz' 2026-02-10T11:42:58,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9/struc.xyz' 2026-02-10T11:42:58,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL/struc.xyz' 2026-02-10T11:42:58,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A/struc.xyz' 2026-02-10T11:42:58,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B/struc.xyz' 2026-02-10T11:42:58,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N/struc.xyz' 2026-02-10T11:42:58,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A/struc.xyz' 2026-02-10T11:42:58,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B/struc.xyz' 2026-02-10T11:42:58,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O/struc.xyz' 2026-02-10T11:42:58,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A/struc.xyz' 2026-02-10T11:42:58,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B/struc.xyz' 2026-02-10T11:42:58,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL/struc.xyz' 2026-02-10T11:42:58,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A/struc.xyz' 2026-02-10T11:42:58,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B/struc.xyz' 2026-02-10T11:42:58,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N/struc.xyz' 2026-02-10T11:42:58,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A/struc.xyz' 2026-02-10T11:42:58,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B/struc.xyz' 2026-02-10T11:42:58,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O/struc.xyz' 2026-02-10T11:42:58,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A/struc.xyz' 2026-02-10T11:42:58,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B/struc.xyz' 2026-02-10T11:42:58,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL/struc.xyz' 2026-02-10T11:42:58,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A/struc.xyz' 2026-02-10T11:42:58,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B/struc.xyz' 2026-02-10T11:42:58,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N/struc.xyz' 2026-02-10T11:42:58,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A/struc.xyz' 2026-02-10T11:42:58,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B/struc.xyz' 2026-02-10T11:42:58,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O/struc.xyz' 2026-02-10T11:42:58,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A/struc.xyz' 2026-02-10T11:42:58,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B/struc.xyz' 2026-02-10T11:42:58,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL/struc.xyz' 2026-02-10T11:42:58,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A/struc.xyz' 2026-02-10T11:42:58,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B/struc.xyz' 2026-02-10T11:42:58,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N/struc.xyz' 2026-02-10T11:42:58,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A/struc.xyz' 2026-02-10T11:42:58,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B/struc.xyz' 2026-02-10T11:42:58,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O/struc.xyz' 2026-02-10T11:42:58,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A/struc.xyz' 2026-02-10T11:42:58,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B/struc.xyz' 2026-02-10T11:42:58,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20/struc.xyz' 2026-02-10T11:42:58,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22/struc.xyz' 2026-02-10T11:42:58,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25/struc.xyz' 2026-02-10T11:42:58,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26/struc.xyz' 2026-02-10T11:42:58,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40/struc.xyz' 2026-02-10T11:42:58,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43/struc.xyz' 2026-02-10T11:42:58,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44/struc.xyz' 2026-02-10T11:42:58,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45/struc.xyz' 2026-02-10T11:42:58,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46/struc.xyz' 2026-02-10T11:42:58,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47/struc.xyz' 2026-02-10T11:42:58,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48/struc.xyz' 2026-02-10T11:42:58,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49/struc.xyz' 2026-02-10T11:42:58,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51/struc.xyz' 2026-02-10T11:42:58,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52/struc.xyz' 2026-02-10T11:42:58,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56/struc.xyz' 2026-02-10T11:42:58,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60/struc.xyz' 2026-02-10T11:42:58,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20/struc.xyz' 2026-02-10T11:42:58,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21/struc.xyz' 2026-02-10T11:42:58,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22/struc.xyz' 2026-02-10T11:42:58,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25/struc.xyz' 2026-02-10T11:42:58,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26/struc.xyz' 2026-02-10T11:42:58,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28/struc.xyz' 2026-02-10T11:42:58,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29/struc.xyz' 2026-02-10T11:42:58,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40/struc.xyz' 2026-02-10T11:42:58,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43/struc.xyz' 2026-02-10T11:42:58,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44/struc.xyz' 2026-02-10T11:42:58,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45/struc.xyz' 2026-02-10T11:42:58,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46/struc.xyz' 2026-02-10T11:42:58,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47/struc.xyz' 2026-02-10T11:42:58,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48/struc.xyz' 2026-02-10T11:42:58,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49/struc.xyz' 2026-02-10T11:42:58,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51/struc.xyz' 2026-02-10T11:42:58,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52/struc.xyz' 2026-02-10T11:42:58,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56/struc.xyz' 2026-02-10T11:42:58,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57/struc.xyz' 2026-02-10T11:42:58,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60/struc.xyz' 2026-02-10T11:42:58,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22/struc.xyz' 2026-02-10T11:42:58,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A/struc.xyz' 2026-02-10T11:42:58,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B/struc.xyz' 2026-02-10T11:42:58,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23/struc.xyz' 2026-02-10T11:42:58,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A/struc.xyz' 2026-02-10T11:42:58,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B/struc.xyz' 2026-02-10T11:42:58,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24/struc.xyz' 2026-02-10T11:42:58,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A/struc.xyz' 2026-02-10T11:42:58,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B/struc.xyz' 2026-02-10T11:42:58,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25/struc.xyz' 2026-02-10T11:42:58,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A/struc.xyz' 2026-02-10T11:42:58,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B/struc.xyz' 2026-02-10T11:42:58,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26/struc.xyz' 2026-02-10T11:42:58,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A/struc.xyz' 2026-02-10T11:42:58,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B/struc.xyz' 2026-02-10T11:42:58,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27/struc.xyz' 2026-02-10T11:42:58,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A/struc.xyz' 2026-02-10T11:42:58,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B/struc.xyz' 2026-02-10T11:42:58,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1/struc.xyz' 2026-02-10T11:42:58,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10/struc.xyz' 2026-02-10T11:42:58,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X/struc.xyz' 2026-02-10T11:42:58,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2/struc.xyz' 2026-02-10T11:42:58,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3/struc.xyz' 2026-02-10T11:42:58,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4/struc.xyz' 2026-02-10T11:42:58,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5/struc.xyz' 2026-02-10T11:42:58,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6/struc.xyz' 2026-02-10T11:42:58,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7/struc.xyz' 2026-02-10T11:42:58,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X/struc.xyz' 2026-02-10T11:42:58,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8/struc.xyz' 2026-02-10T11:42:58,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X/struc.xyz' 2026-02-10T11:42:58,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9/struc.xyz' 2026-02-10T11:42:58,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X/struc.xyz' 2026-02-10T11:42:58,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene/struc.xyz' 2026-02-10T11:42:58,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene/struc.xyz' 2026-02-10T11:42:58,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene/struc.xyz' 2026-02-10T11:42:58,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene/struc.xyz' 2026-02-10T11:42:58,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine/struc.xyz' 2026-02-10T11:42:58,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane/struc.xyz' 2026-02-10T11:42:58,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein/struc.xyz' 2026-02-10T11:42:58,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH/struc.xyz' 2026-02-10T11:42:58,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip/struc.xyz' 2026-02-10T11:42:58,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6/struc.xyz' 2026-02-10T11:42:58,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6/struc.xyz' 2026-02-10T11:42:58,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2/struc.xyz' 2026-02-10T11:42:58,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL/struc.xyz' 2026-02-10T11:42:58,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz' 2026-02-10T11:42:58,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz' 2026-02-10T11:42:58,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35/struc.xyz' 2026-02-10T11:42:58,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36/struc.xyz' 2026-02-10T11:42:58,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35/struc.xyz' 2026-02-10T11:42:58,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36/struc.xyz' 2026-02-10T11:42:58,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be/struc.xyz' 2026-02-10T11:42:58,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4/struc.xyz' 2026-02-10T11:42:58,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl/struc.xyz' 2026-02-10T11:42:58,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage/struc.xyz' 2026-02-10T11:42:58,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2/struc.xyz' 2026-02-10T11:42:58,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4/struc.xyz' 2026-02-10T11:42:58,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1/struc.xyz' 2026-02-10T11:42:58,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2/struc.xyz' 2026-02-10T11:42:58,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2/struc.xyz' 2026-02-10T11:42:58,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen/struc.xyz' 2026-02-10T11:42:58,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene/struc.xyz' 2026-02-10T11:42:58,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne/struc.xyz' 2026-02-10T11:42:58,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3/struc.xyz' 2026-02-10T11:42:58,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add/struc.xyz' 2026-02-10T11:42:58,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add/struc.xyz' 2026-02-10T11:42:58,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb/struc.xyz' 2026-02-10T11:42:58,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2/struc.xyz' 2026-02-10T11:42:58,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8/struc.xyz' 2026-02-10T11:42:58,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen/struc.xyz' 2026-02-10T11:42:58,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be/struc.xyz' 2026-02-10T11:42:58,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+/struc.xyz' 2026-02-10T11:42:58,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4/struc.xyz' 2026-02-10T11:42:58,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz' 2026-02-10T11:42:58,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6/struc.xyz' 2026-02-10T11:42:58,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz' 2026-02-10T11:42:58,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4/struc.xyz' 2026-02-10T11:42:58,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz' 2026-02-10T11:42:58,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o/struc.xyz' 2026-02-10T11:42:58,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz' 2026-02-10T11:42:58,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s/struc.xyz' 2026-02-10T11:42:58,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+/struc.xyz' 2026-02-10T11:42:58,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg/struc.xyz' 2026-02-10T11:42:58,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+/struc.xyz' 2026-02-10T11:42:58,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2/struc.xyz' 2026-02-10T11:42:58,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz' 2026-02-10T11:42:58,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3/struc.xyz' 2026-02-10T11:42:58,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+/struc.xyz' 2026-02-10T11:42:58,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3/struc.xyz' 2026-02-10T11:42:58,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+/struc.xyz' 2026-02-10T11:42:58,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene/struc.xyz' 2026-02-10T11:42:58,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene/struc.xyz' 2026-02-10T11:42:58,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne/struc.xyz' 2026-02-10T11:42:58,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne/struc.xyz' 2026-02-10T11:42:58,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene/struc.xyz' 2026-02-10T11:42:58,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane/struc.xyz' 2026-02-10T11:42:58,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2/struc.xyz' 2026-02-10T11:42:58,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz' 2026-02-10T11:42:58,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz' 2026-02-10T11:42:58,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz' 2026-02-10T11:42:58,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H/struc.xyz' 2026-02-10T11:42:58,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2/struc.xyz' 2026-02-10T11:42:58,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2/struc.xyz' 2026-02-10T11:42:58,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO/struc.xyz' 2026-02-10T11:42:58,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN/struc.xyz' 2026-02-10T11:42:58,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz' 2026-02-10T11:42:58,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H/struc.xyz' 2026-02-10T11:42:58,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz' 2026-02-10T11:42:58,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO/struc.xyz' 2026-02-10T11:42:58,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2/struc.xyz' 2026-02-10T11:42:58,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH/struc.xyz' 2026-02-10T11:42:58,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2/struc.xyz' 2026-02-10T11:42:58,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO/struc.xyz' 2026-02-10T11:42:58,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H/struc.xyz' 2026-02-10T11:42:58,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO/struc.xyz' 2026-02-10T11:42:58,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2/struc.xyz' 2026-02-10T11:42:58,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz' 2026-02-10T11:42:58,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2/struc.xyz' 2026-02-10T11:42:58,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO/struc.xyz' 2026-02-10T11:42:58,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H/struc.xyz' 2026-02-10T11:42:58,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H/struc.xyz' 2026-02-10T11:42:58,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O/struc.xyz' 2026-02-10T11:42:58,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO/struc.xyz' 2026-02-10T11:42:58,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2/struc.xyz' 2026-02-10T11:42:58,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2/struc.xyz' 2026-02-10T11:42:58,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz' 2026-02-10T11:42:58,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2/struc.xyz' 2026-02-10T11:42:58,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2/struc.xyz' 2026-02-10T11:42:58,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz' 2026-02-10T11:42:58,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO/struc.xyz' 2026-02-10T11:42:58,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O/struc.xyz' 2026-02-10T11:42:58,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2/struc.xyz' 2026-02-10T11:42:58,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S/struc.xyz' 2026-02-10T11:42:58,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN/struc.xyz' 2026-02-10T11:42:58,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11/struc.xyz' 2026-02-10T11:42:58,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz' 2026-02-10T11:42:58,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl/struc.xyz' 2026-02-10T11:42:58,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene/struc.xyz' 2026-02-10T11:42:58,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz' 2026-02-10T11:42:58,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2/struc.xyz' 2026-02-10T11:42:58,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2/struc.xyz' 2026-02-10T11:42:58,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz' 2026-02-10T11:42:58,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol/struc.xyz' 2026-02-10T11:42:58,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene/struc.xyz' 2026-02-10T11:42:58,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine/struc.xyz' 2026-02-10T11:42:58,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane/struc.xyz' 2026-02-10T11:42:58,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane/struc.xyz' 2026-02-10T11:42:58,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane/struc.xyz' 2026-02-10T11:42:58,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole/struc.xyz' 2026-02-10T11:42:58,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz' 2026-02-10T11:42:58,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene/struc.xyz' 2026-02-10T11:42:58,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz' 2026-02-10T11:42:58,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne/struc.xyz' 2026-02-10T11:42:58,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione/struc.xyz' 2026-02-10T11:42:58,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne/struc.xyz' 2026-02-10T11:42:58,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol/struc.xyz' 2026-02-10T11:42:58,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz' 2026-02-10T11:42:58,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz' 2026-02-10T11:42:58,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz' 2026-02-10T11:42:58,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane/struc.xyz' 2026-02-10T11:42:58,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran/struc.xyz' 2026-02-10T11:42:58,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole/struc.xyz' 2026-02-10T11:42:58,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole/struc.xyz' 2026-02-10T11:42:58,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine/struc.xyz' 2026-02-10T11:42:58,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole/struc.xyz' 2026-02-10T11:42:58,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane/struc.xyz' 2026-02-10T11:42:58,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane/struc.xyz' 2026-02-10T11:42:58,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane/struc.xyz' 2026-02-10T11:42:58,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene/struc.xyz' 2026-02-10T11:42:58,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol/struc.xyz' 2026-02-10T11:42:58,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol/struc.xyz' 2026-02-10T11:42:58,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran/struc.xyz' 2026-02-10T11:42:58,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane/struc.xyz' 2026-02-10T11:42:58,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene/struc.xyz' 2026-02-10T11:42:58,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane/struc.xyz' 2026-02-10T11:42:58,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene/struc.xyz' 2026-02-10T11:42:58,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene/struc.xyz' 2026-02-10T11:42:58,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10/struc.xyz' 2026-02-10T11:42:58,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n/struc.xyz' 2026-02-10T11:42:58,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11/struc.xyz' 2026-02-10T11:42:58,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n/struc.xyz' 2026-02-10T11:42:58,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12/struc.xyz' 2026-02-10T11:42:58,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n/struc.xyz' 2026-02-10T11:42:58,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13/struc.xyz' 2026-02-10T11:42:58,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n/struc.xyz' 2026-02-10T11:42:58,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14/struc.xyz' 2026-02-10T11:42:58,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n/struc.xyz' 2026-02-10T11:42:58,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15/struc.xyz' 2026-02-10T11:42:58,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n/struc.xyz' 2026-02-10T11:42:58,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16/struc.xyz' 2026-02-10T11:42:58,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n/struc.xyz' 2026-02-10T11:42:58,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17/struc.xyz' 2026-02-10T11:42:58,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n/struc.xyz' 2026-02-10T11:42:58,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18/struc.xyz' 2026-02-10T11:42:58,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n/struc.xyz' 2026-02-10T11:42:58,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19/struc.xyz' 2026-02-10T11:42:58,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n/struc.xyz' 2026-02-10T11:42:58,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20/struc.xyz' 2026-02-10T11:42:58,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n/struc.xyz' 2026-02-10T11:42:58,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21/struc.xyz' 2026-02-10T11:42:58,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n/struc.xyz' 2026-02-10T11:42:58,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22/struc.xyz' 2026-02-10T11:42:58,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n/struc.xyz' 2026-02-10T11:42:58,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23/struc.xyz' 2026-02-10T11:42:58,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n/struc.xyz' 2026-02-10T11:42:58,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24/struc.xyz' 2026-02-10T11:42:58,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n/struc.xyz' 2026-02-10T11:42:58,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25/struc.xyz' 2026-02-10T11:42:58,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n/struc.xyz' 2026-02-10T11:42:58,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8/struc.xyz' 2026-02-10T11:42:58,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n/struc.xyz' 2026-02-10T11:42:58,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9/struc.xyz' 2026-02-10T11:42:58,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n/struc.xyz' 2026-02-10T11:42:58,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c/struc.xyz' 2026-02-10T11:42:58,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-/struc.xyz' 2026-02-10T11:42:58,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl/struc.xyz' 2026-02-10T11:42:58,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-/struc.xyz' 2026-02-10T11:42:58,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f/struc.xyz' 2026-02-10T11:42:58,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-/struc.xyz' 2026-02-10T11:42:58,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o/struc.xyz' 2026-02-10T11:42:58,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-/struc.xyz' 2026-02-10T11:42:58,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p/struc.xyz' 2026-02-10T11:42:58,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-/struc.xyz' 2026-02-10T11:42:58,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s/struc.xyz' 2026-02-10T11:42:58,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-/struc.xyz' 2026-02-10T11:42:58,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si/struc.xyz' 2026-02-10T11:42:58,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-/struc.xyz' 2026-02-10T11:42:58,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11/struc.xyz' 2026-02-10T11:42:58,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12/struc.xyz' 2026-02-10T11:42:58,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13/struc.xyz' 2026-02-10T11:42:58,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137/struc.xyz' 2026-02-10T11:42:58,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14/struc.xyz' 2026-02-10T11:42:58,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18/struc.xyz' 2026-02-10T11:42:58,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19/struc.xyz' 2026-02-10T11:42:58,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20/struc.xyz' 2026-02-10T11:42:58,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22/struc.xyz' 2026-02-10T11:42:58,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25/struc.xyz' 2026-02-10T11:42:58,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26/struc.xyz' 2026-02-10T11:42:58,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30/struc.xyz' 2026-02-10T11:42:58,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34/struc.xyz' 2026-02-10T11:42:58,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37/struc.xyz' 2026-02-10T11:42:58,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43/struc.xyz' 2026-02-10T11:42:58,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44/struc.xyz' 2026-02-10T11:42:58,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45/struc.xyz' 2026-02-10T11:42:58,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48/struc.xyz' 2026-02-10T11:42:58,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51/struc.xyz' 2026-02-10T11:42:58,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8/struc.xyz' 2026-02-10T11:42:58,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59/struc.xyz' 2026-02-10T11:42:58,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60/struc.xyz' 2026-02-10T11:42:58,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61/struc.xyz' 2026-02-10T11:42:58,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62/struc.xyz' 2026-02-10T11:42:58,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63/struc.xyz' 2026-02-10T11:42:58,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64/struc.xyz' 2026-02-10T11:42:58,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65/struc.xyz' 2026-02-10T11:42:58,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66/struc.xyz' 2026-02-10T11:42:58,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67/struc.xyz' 2026-02-10T11:42:58,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68/struc.xyz' 2026-02-10T11:42:58,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70/struc.xyz' 2026-02-10T11:42:58,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71/struc.xyz' 2026-02-10T11:42:58,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72/struc.xyz' 2026-02-10T11:42:58,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73/struc.xyz' 2026-02-10T11:42:58,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74/struc.xyz' 2026-02-10T11:42:58,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75/struc.xyz' 2026-02-10T11:42:58,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76/struc.xyz' 2026-02-10T11:42:58,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77/struc.xyz' 2026-02-10T11:42:58,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78/struc.xyz' 2026-02-10T11:42:58,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79/struc.xyz' 2026-02-10T11:42:58,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80/struc.xyz' 2026-02-10T11:42:58,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65/struc.xyz' 2026-02-10T11:42:58,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al/struc.xyz' 2026-02-10T11:42:58,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+/struc.xyz' 2026-02-10T11:42:58,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b/struc.xyz' 2026-02-10T11:42:58,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+/struc.xyz' 2026-02-10T11:42:58,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be/struc.xyz' 2026-02-10T11:42:58,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+/struc.xyz' 2026-02-10T11:42:58,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c/struc.xyz' 2026-02-10T11:42:58,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+/struc.xyz' 2026-02-10T11:42:58,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl/struc.xyz' 2026-02-10T11:42:58,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+/struc.xyz' 2026-02-10T11:42:58,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f/struc.xyz' 2026-02-10T11:42:58,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+/struc.xyz' 2026-02-10T11:42:58,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h/struc.xyz' 2026-02-10T11:42:58,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li/struc.xyz' 2026-02-10T11:42:58,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+/struc.xyz' 2026-02-10T11:42:58,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg/struc.xyz' 2026-02-10T11:42:58,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+/struc.xyz' 2026-02-10T11:42:58,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n/struc.xyz' 2026-02-10T11:42:58,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+/struc.xyz' 2026-02-10T11:42:58,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na/struc.xyz' 2026-02-10T11:42:58,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+/struc.xyz' 2026-02-10T11:42:58,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o/struc.xyz' 2026-02-10T11:42:58,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+/struc.xyz' 2026-02-10T11:42:58,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p/struc.xyz' 2026-02-10T11:42:58,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+/struc.xyz' 2026-02-10T11:42:58,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s/struc.xyz' 2026-02-10T11:42:58,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+/struc.xyz' 2026-02-10T11:42:58,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si/struc.xyz' 2026-02-10T11:42:58,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+/struc.xyz' 2026-02-10T11:42:58,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1/struc.xyz' 2026-02-10T11:42:58,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100/struc.xyz' 2026-02-10T11:42:58,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104/struc.xyz' 2026-02-10T11:42:58,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106/struc.xyz' 2026-02-10T11:42:58,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11/struc.xyz' 2026-02-10T11:42:58,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113/struc.xyz' 2026-02-10T11:42:58,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117/struc.xyz' 2026-02-10T11:42:58,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118/struc.xyz' 2026-02-10T11:42:58,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121/struc.xyz' 2026-02-10T11:42:58,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126/struc.xyz' 2026-02-10T11:42:58,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128/struc.xyz' 2026-02-10T11:42:58,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13/struc.xyz' 2026-02-10T11:42:58,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14/struc.xyz' 2026-02-10T11:42:58,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18/struc.xyz' 2026-02-10T11:42:58,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21/struc.xyz' 2026-02-10T11:42:58,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22/struc.xyz' 2026-02-10T11:42:58,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23/struc.xyz' 2026-02-10T11:42:58,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24/struc.xyz' 2026-02-10T11:42:58,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25/struc.xyz' 2026-02-10T11:42:58,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26/struc.xyz' 2026-02-10T11:42:58,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30/struc.xyz' 2026-02-10T11:42:58,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32/struc.xyz' 2026-02-10T11:42:58,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33/struc.xyz' 2026-02-10T11:42:58,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34/struc.xyz' 2026-02-10T11:42:58,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39/struc.xyz' 2026-02-10T11:42:59,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40/struc.xyz' 2026-02-10T11:42:59,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45/struc.xyz' 2026-02-10T11:42:59,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47/struc.xyz' 2026-02-10T11:42:59,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51/struc.xyz' 2026-02-10T11:42:59,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52/struc.xyz' 2026-02-10T11:42:59,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56/struc.xyz' 2026-02-10T11:42:59,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57/struc.xyz' 2026-02-10T11:42:59,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58/struc.xyz' 2026-02-10T11:42:59,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59/struc.xyz' 2026-02-10T11:42:59,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6/struc.xyz' 2026-02-10T11:42:59,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60/struc.xyz' 2026-02-10T11:42:59,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61/struc.xyz' 2026-02-10T11:42:59,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62/struc.xyz' 2026-02-10T11:42:59,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66/struc.xyz' 2026-02-10T11:42:59,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67/struc.xyz' 2026-02-10T11:42:59,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68/struc.xyz' 2026-02-10T11:42:59,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73/struc.xyz' 2026-02-10T11:42:59,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8/struc.xyz' 2026-02-10T11:42:59,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82/struc.xyz' 2026-02-10T11:42:59,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88/struc.xyz' 2026-02-10T11:42:59,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94/struc.xyz' 2026-02-10T11:42:59,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97/struc.xyz' 2026-02-10T11:42:59,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA/struc.xyz' 2026-02-10T11:42:59,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz' 2026-02-10T11:42:59,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB/struc.xyz' 2026-02-10T11:42:59,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA/struc.xyz' 2026-02-10T11:42:59,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz' 2026-02-10T11:42:59,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB/struc.xyz' 2026-02-10T11:42:59,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz' 2026-02-10T11:42:59,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz' 2026-02-10T11:42:59,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz' 2026-02-10T11:42:59,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz' 2026-02-10T11:42:59,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz' 2026-02-10T11:42:59,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz' 2026-02-10T11:42:59,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz' 2026-02-10T11:42:59,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz' 2026-02-10T11:42:59,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz' 2026-02-10T11:42:59,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz' 2026-02-10T11:42:59,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz' 2026-02-10T11:42:59,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz' 2026-02-10T11:42:59,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz' 2026-02-10T11:42:59,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz' 2026-02-10T11:42:59,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz' 2026-02-10T11:42:59,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz' 2026-02-10T11:42:59,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz' 2026-02-10T11:42:59,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz' 2026-02-10T11:42:59,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz' 2026-02-10T11:42:59,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz' 2026-02-10T11:42:59,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz' 2026-02-10T11:42:59,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz' 2026-02-10T11:42:59,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz' 2026-02-10T11:42:59,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz' 2026-02-10T11:42:59,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz' 2026-02-10T11:42:59,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz' 2026-02-10T11:42:59,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz' 2026-02-10T11:42:59,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz' 2026-02-10T11:42:59,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz' 2026-02-10T11:42:59,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz' 2026-02-10T11:42:59,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz' 2026-02-10T11:42:59,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz' 2026-02-10T11:42:59,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz' 2026-02-10T11:42:59,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz' 2026-02-10T11:42:59,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz' 2026-02-10T11:42:59,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz' 2026-02-10T11:42:59,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr/struc.xyz' 2026-02-10T11:42:59,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz' 2026-02-10T11:42:59,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe/struc.xyz' 2026-02-10T11:42:59,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH/struc.xyz' 2026-02-10T11:42:59,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3/struc.xyz' 2026-02-10T11:42:59,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz' 2026-02-10T11:42:59,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz' 2026-02-10T11:42:59,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH/struc.xyz' 2026-02-10T11:42:59,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr/struc.xyz' 2026-02-10T11:42:59,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI/struc.xyz' 2026-02-10T11:42:59,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr/struc.xyz' 2026-02-10T11:42:59,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH/struc.xyz' 2026-02-10T11:42:59,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl/struc.xyz' 2026-02-10T11:42:59,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI/struc.xyz' 2026-02-10T11:42:59,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH/struc.xyz' 2026-02-10T11:42:59,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe/struc.xyz' 2026-02-10T11:42:59,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH/struc.xyz' 2026-02-10T11:42:59,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3/struc.xyz' 2026-02-10T11:42:59,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2/struc.xyz' 2026-02-10T11:42:59,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3/struc.xyz' 2026-02-10T11:42:59,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH/struc.xyz' 2026-02-10T11:42:59,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr/struc.xyz' 2026-02-10T11:42:59,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe/struc.xyz' 2026-02-10T11:42:59,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI/struc.xyz' 2026-02-10T11:42:59,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH/struc.xyz' 2026-02-10T11:42:59,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe/struc.xyz' 2026-02-10T11:42:59,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH/struc.xyz' 2026-02-10T11:42:59,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3/struc.xyz' 2026-02-10T11:42:59,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2/struc.xyz' 2026-02-10T11:42:59,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3/struc.xyz' 2026-02-10T11:42:59,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH/struc.xyz' 2026-02-10T11:42:59,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr/struc.xyz' 2026-02-10T11:42:59,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS/struc.xyz' 2026-02-10T11:42:59,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH/struc.xyz' 2026-02-10T11:42:59,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI/struc.xyz' 2026-02-10T11:42:59,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr/struc.xyz' 2026-02-10T11:42:59,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl/struc.xyz' 2026-02-10T11:42:59,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS/struc.xyz' 2026-02-10T11:42:59,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS/struc.xyz' 2026-02-10T11:42:59,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr/struc.xyz' 2026-02-10T11:42:59,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI/struc.xyz' 2026-02-10T11:42:59,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3/struc.xyz' 2026-02-10T11:42:59,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI/struc.xyz' 2026-02-10T11:42:59,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr/struc.xyz' 2026-02-10T11:42:59,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl/struc.xyz' 2026-02-10T11:42:59,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS/struc.xyz' 2026-02-10T11:42:59,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS/struc.xyz' 2026-02-10T11:42:59,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr/struc.xyz' 2026-02-10T11:42:59,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI/struc.xyz' 2026-02-10T11:42:59,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS/struc.xyz' 2026-02-10T11:42:59,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2/struc.xyz' 2026-02-10T11:42:59,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3/struc.xyz' 2026-02-10T11:42:59,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH/struc.xyz' 2026-02-10T11:42:59,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI/struc.xyz' 2026-02-10T11:42:59,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr/struc.xyz' 2026-02-10T11:42:59,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl/struc.xyz' 2026-02-10T11:42:59,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS/struc.xyz' 2026-02-10T11:42:59,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS/struc.xyz' 2026-02-10T11:42:59,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr/struc.xyz' 2026-02-10T11:42:59,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI/struc.xyz' 2026-02-10T11:42:59,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr/struc.xyz' 2026-02-10T11:42:59,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI/struc.xyz' 2026-02-10T11:42:59,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr/struc.xyz' 2026-02-10T11:42:59,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3/struc.xyz' 2026-02-10T11:42:59,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2/struc.xyz' 2026-02-10T11:42:59,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz' 2026-02-10T11:42:59,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz' 2026-02-10T11:42:59,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz' 2026-02-10T11:42:59,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz' 2026-02-10T11:42:59,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi/struc.xyz' 2026-02-10T11:42:59,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz' 2026-02-10T11:42:59,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o/struc.xyz' 2026-02-10T11:42:59,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s/struc.xyz' 2026-02-10T11:42:59,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr/struc.xyz' 2026-02-10T11:42:59,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl/struc.xyz' 2026-02-10T11:42:59,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi/struc.xyz' 2026-02-10T11:42:59,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3/struc.xyz' 2026-02-10T11:42:59,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4/struc.xyz' 2026-02-10T11:42:59,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2/struc.xyz' 2026-02-10T11:42:59,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz' 2026-02-10T11:42:59,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz' 2026-02-10T11:42:59,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz' 2026-02-10T11:42:59,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz' 2026-02-10T11:42:59,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz' 2026-02-10T11:42:59,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz' 2026-02-10T11:42:59,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3/struc.xyz' 2026-02-10T11:42:59,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2/struc.xyz' 2026-02-10T11:42:59,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz' 2026-02-10T11:42:59,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz' 2026-02-10T11:42:59,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz' 2026-02-10T11:42:59,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz' 2026-02-10T11:42:59,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz' 2026-02-10T11:42:59,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz' 2026-02-10T11:42:59,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2/struc.xyz' 2026-02-10T11:42:59,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2/struc.xyz' 2026-02-10T11:42:59,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz' 2026-02-10T11:42:59,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz' 2026-02-10T11:42:59,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz' 2026-02-10T11:42:59,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz' 2026-02-10T11:42:59,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi/struc.xyz' 2026-02-10T11:42:59,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz' 2026-02-10T11:42:59,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4/struc.xyz' 2026-02-10T11:42:59,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2/struc.xyz' 2026-02-10T11:42:59,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br/struc.xyz' 2026-02-10T11:42:59,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2/struc.xyz' 2026-02-10T11:42:59,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl/struc.xyz' 2026-02-10T11:42:59,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2/struc.xyz' 2026-02-10T11:42:59,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz' 2026-02-10T11:42:59,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3/struc.xyz' 2026-02-10T11:42:59,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2/struc.xyz' 2026-02-10T11:42:59,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2/struc.xyz' 2026-02-10T11:42:59,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4/struc.xyz' 2026-02-10T11:42:59,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz' 2026-02-10T11:42:59,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3/struc.xyz' 2026-02-10T11:42:59,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2/struc.xyz' 2026-02-10T11:42:59,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz' 2026-02-10T11:42:59,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2/struc.xyz' 2026-02-10T11:42:59,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz' 2026-02-10T11:42:59,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh/struc.xyz' 2026-02-10T11:42:59,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz' 2026-02-10T11:42:59,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3/struc.xyz' 2026-02-10T11:42:59,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2/struc.xyz' 2026-02-10T11:42:59,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme/struc.xyz' 2026-02-10T11:42:59,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1/struc.xyz' 2026-02-10T11:42:59,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2/struc.xyz' 2026-02-10T11:42:59,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3/struc.xyz' 2026-02-10T11:42:59,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1/struc.xyz' 2026-02-10T11:42:59,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2/struc.xyz' 2026-02-10T11:42:59,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3/struc.xyz' 2026-02-10T11:42:59,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4/struc.xyz' 2026-02-10T11:42:59,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1/struc.xyz' 2026-02-10T11:42:59,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2/struc.xyz' 2026-02-10T11:42:59,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3/struc.xyz' 2026-02-10T11:42:59,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1/struc.xyz' 2026-02-10T11:42:59,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2/struc.xyz' 2026-02-10T11:42:59,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1/struc.xyz' 2026-02-10T11:42:59,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2/struc.xyz' 2026-02-10T11:42:59,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3/struc.xyz' 2026-02-10T11:42:59,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1/struc.xyz' 2026-02-10T11:42:59,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2/struc.xyz' 2026-02-10T11:42:59,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1/struc.xyz' 2026-02-10T11:42:59,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2/struc.xyz' 2026-02-10T11:42:59,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1/struc.xyz' 2026-02-10T11:42:59,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2/struc.xyz' 2026-02-10T11:42:59,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1/struc.xyz' 2026-02-10T11:42:59,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2/struc.xyz' 2026-02-10T11:42:59,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3/struc.xyz' 2026-02-10T11:42:59,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4/struc.xyz' 2026-02-10T11:42:59,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1/struc.xyz' 2026-02-10T11:42:59,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2/struc.xyz' 2026-02-10T11:42:59,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f/struc.xyz' 2026-02-10T11:42:59,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l/struc.xyz' 2026-02-10T11:42:59,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f/struc.xyz' 2026-02-10T11:42:59,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l/struc.xyz' 2026-02-10T11:42:59,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant/struc.xyz' 2026-02-10T11:42:59,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer/struc.xyz' 2026-02-10T11:42:59,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2/struc.xyz' 2026-02-10T11:42:59,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1/struc.xyz' 2026-02-10T11:42:59,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2/struc.xyz' 2026-02-10T11:42:59,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22/struc.xyz' 2026-02-10T11:42:59,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene/struc.xyz' 2026-02-10T11:42:59,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1/struc.xyz' 2026-02-10T11:42:59,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2/struc.xyz' 2026-02-10T11:42:59,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008/struc.xyz' 2026-02-10T11:42:59,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A/struc.xyz' 2026-02-10T11:42:59,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B/struc.xyz' 2026-02-10T11:42:59,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144/struc.xyz' 2026-02-10T11:42:59,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A/struc.xyz' 2026-02-10T11:42:59,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B/struc.xyz' 2026-02-10T11:42:59,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147/struc.xyz' 2026-02-10T11:42:59,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A/struc.xyz' 2026-02-10T11:42:59,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B/struc.xyz' 2026-02-10T11:42:59,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148/struc.xyz' 2026-02-10T11:42:59,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A/struc.xyz' 2026-02-10T11:42:59,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B/struc.xyz' 2026-02-10T11:42:59,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150/struc.xyz' 2026-02-10T11:42:59,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A/struc.xyz' 2026-02-10T11:42:59,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B/struc.xyz' 2026-02-10T11:42:59,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152/struc.xyz' 2026-02-10T11:42:59,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A/struc.xyz' 2026-02-10T11:42:59,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B/struc.xyz' 2026-02-10T11:42:59,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187/struc.xyz' 2026-02-10T11:42:59,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A/struc.xyz' 2026-02-10T11:42:59,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B/struc.xyz' 2026-02-10T11:42:59,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202/struc.xyz' 2026-02-10T11:42:59,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A/struc.xyz' 2026-02-10T11:42:59,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B/struc.xyz' 2026-02-10T11:42:59,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212/struc.xyz' 2026-02-10T11:42:59,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A/struc.xyz' 2026-02-10T11:42:59,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B/struc.xyz' 2026-02-10T11:42:59,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213/struc.xyz' 2026-02-10T11:42:59,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A/struc.xyz' 2026-02-10T11:42:59,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B/struc.xyz' 2026-02-10T11:42:59,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214/struc.xyz' 2026-02-10T11:42:59,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A/struc.xyz' 2026-02-10T11:42:59,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B/struc.xyz' 2026-02-10T11:42:59,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227/struc.xyz' 2026-02-10T11:42:59,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A/struc.xyz' 2026-02-10T11:42:59,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B/struc.xyz' 2026-02-10T11:42:59,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228/struc.xyz' 2026-02-10T11:42:59,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A/struc.xyz' 2026-02-10T11:42:59,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B/struc.xyz' 2026-02-10T11:42:59,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229/struc.xyz' 2026-02-10T11:42:59,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A/struc.xyz' 2026-02-10T11:42:59,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B/struc.xyz' 2026-02-10T11:42:59,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230/struc.xyz' 2026-02-10T11:42:59,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A/struc.xyz' 2026-02-10T11:42:59,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B/struc.xyz' 2026-02-10T11:42:59,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231/struc.xyz' 2026-02-10T11:42:59,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A/struc.xyz' 2026-02-10T11:42:59,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B/struc.xyz' 2026-02-10T11:42:59,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene/struc.xyz' 2026-02-10T11:42:59,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz' 2026-02-10T11:42:59,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz' 2026-02-10T11:42:59,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz' 2026-02-10T11:42:59,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene/struc.xyz' 2026-02-10T11:42:59,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS/struc.xyz' 2026-02-10T11:42:59,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz' 2026-02-10T11:42:59,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz' 2026-02-10T11:42:59,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz' 2026-02-10T11:42:59,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz' 2026-02-10T11:42:59,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether/struc.xyz' 2026-02-10T11:42:59,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS/struc.xyz' 2026-02-10T11:42:59,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O/struc.xyz' 2026-02-10T11:42:59,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS/struc.xyz' 2026-02-10T11:42:59,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S/struc.xyz' 2026-02-10T11:42:59,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS/struc.xyz' 2026-02-10T11:42:59,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene/struc.xyz' 2026-02-10T11:42:59,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz' 2026-02-10T11:42:59,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine/struc.xyz' 2026-02-10T11:42:59,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz' 2026-02-10T11:42:59,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3/struc.xyz' 2026-02-10T11:42:59,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS/struc.xyz' 2026-02-10T11:42:59,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3/struc.xyz' 2026-02-10T11:42:59,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS/struc.xyz' 2026-02-10T11:42:59,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3/struc.xyz' 2026-02-10T11:42:59,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS/struc.xyz' 2026-02-10T11:42:59,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph/struc.xyz' 2026-02-10T11:42:59,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS/struc.xyz' 2026-02-10T11:42:59,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3/struc.xyz' 2026-02-10T11:42:59,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS/struc.xyz' 2026-02-10T11:42:59,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3/struc.xyz' 2026-02-10T11:42:59,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS/struc.xyz' 2026-02-10T11:42:59,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene/struc.xyz' 2026-02-10T11:42:59,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz' 2026-02-10T11:42:59,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2/struc.xyz' 2026-02-10T11:42:59,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS/struc.xyz' 2026-02-10T11:42:59,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene/struc.xyz' 2026-02-10T11:42:59,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS/struc.xyz' 2026-02-10T11:42:59,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz' 2026-02-10T11:42:59,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz' 2026-02-10T11:42:59,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene/struc.xyz' 2026-02-10T11:42:59,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz' 2026-02-10T11:42:59,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether/struc.xyz' 2026-02-10T11:42:59,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS/struc.xyz' 2026-02-10T11:42:59,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene/struc.xyz' 2026-02-10T11:42:59,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz' 2026-02-10T11:42:59,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz' 2026-02-10T11:42:59,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz' 2026-02-10T11:42:59,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1/struc.xyz' 2026-02-10T11:42:59,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10/struc.xyz' 2026-02-10T11:42:59,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11/struc.xyz' 2026-02-10T11:42:59,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12/struc.xyz' 2026-02-10T11:42:59,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13/struc.xyz' 2026-02-10T11:42:59,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14/struc.xyz' 2026-02-10T11:42:59,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15/struc.xyz' 2026-02-10T11:42:59,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16/struc.xyz' 2026-02-10T11:42:59,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17/struc.xyz' 2026-02-10T11:42:59,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18/struc.xyz' 2026-02-10T11:42:59,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19/struc.xyz' 2026-02-10T11:42:59,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20/struc.xyz' 2026-02-10T11:42:59,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21/struc.xyz' 2026-02-10T11:42:59,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22/struc.xyz' 2026-02-10T11:42:59,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23/struc.xyz' 2026-02-10T11:42:59,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24/struc.xyz' 2026-02-10T11:42:59,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25/struc.xyz' 2026-02-10T11:42:59,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26/struc.xyz' 2026-02-10T11:42:59,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27/struc.xyz' 2026-02-10T11:42:59,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28/struc.xyz' 2026-02-10T11:42:59,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29/struc.xyz' 2026-02-10T11:42:59,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3/struc.xyz' 2026-02-10T11:42:59,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30/struc.xyz' 2026-02-10T11:42:59,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31/struc.xyz' 2026-02-10T11:42:59,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32/struc.xyz' 2026-02-10T11:42:59,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33/struc.xyz' 2026-02-10T11:42:59,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34/struc.xyz' 2026-02-10T11:42:59,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4/struc.xyz' 2026-02-10T11:42:59,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5/struc.xyz' 2026-02-10T11:42:59,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7/struc.xyz' 2026-02-10T11:42:59,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8/struc.xyz' 2026-02-10T11:42:59,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9/struc.xyz' 2026-02-10T11:42:59,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1/struc.xyz' 2026-02-10T11:42:59,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10/struc.xyz' 2026-02-10T11:42:59,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11/struc.xyz' 2026-02-10T11:42:59,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12/struc.xyz' 2026-02-10T11:42:59,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13/struc.xyz' 2026-02-10T11:42:59,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14/struc.xyz' 2026-02-10T11:42:59,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15/struc.xyz' 2026-02-10T11:42:59,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16/struc.xyz' 2026-02-10T11:42:59,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17/struc.xyz' 2026-02-10T11:42:59,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18/struc.xyz' 2026-02-10T11:42:59,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2/struc.xyz' 2026-02-10T11:42:59,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20/struc.xyz' 2026-02-10T11:42:59,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21/struc.xyz' 2026-02-10T11:42:59,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23/struc.xyz' 2026-02-10T11:42:59,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24/struc.xyz' 2026-02-10T11:42:59,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25/struc.xyz' 2026-02-10T11:42:59,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26/struc.xyz' 2026-02-10T11:42:59,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27/struc.xyz' 2026-02-10T11:42:59,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28/struc.xyz' 2026-02-10T11:42:59,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29/struc.xyz' 2026-02-10T11:42:59,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3/struc.xyz' 2026-02-10T11:42:59,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30/struc.xyz' 2026-02-10T11:42:59,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31/struc.xyz' 2026-02-10T11:42:59,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32/struc.xyz' 2026-02-10T11:42:59,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33/struc.xyz' 2026-02-10T11:42:59,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34/struc.xyz' 2026-02-10T11:42:59,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4/struc.xyz' 2026-02-10T11:42:59,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6/struc.xyz' 2026-02-10T11:42:59,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7/struc.xyz' 2026-02-10T11:42:59,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8/struc.xyz' 2026-02-10T11:42:59,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9/struc.xyz' 2026-02-10T11:42:59,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e/struc.xyz' 2026-02-10T11:42:59,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p/struc.xyz' 2026-02-10T11:42:59,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e/struc.xyz' 2026-02-10T11:42:59,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p/struc.xyz' 2026-02-10T11:42:59,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e/struc.xyz' 2026-02-10T11:42:59,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p/struc.xyz' 2026-02-10T11:42:59,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e/struc.xyz' 2026-02-10T11:42:59,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p/struc.xyz' 2026-02-10T11:42:59,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e/struc.xyz' 2026-02-10T11:42:59,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p/struc.xyz' 2026-02-10T11:42:59,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e/struc.xyz' 2026-02-10T11:42:59,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p/struc.xyz' 2026-02-10T11:42:59,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e/struc.xyz' 2026-02-10T11:42:59,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p/struc.xyz' 2026-02-10T11:42:59,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e/struc.xyz' 2026-02-10T11:42:59,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p/struc.xyz' 2026-02-10T11:42:59,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e/struc.xyz' 2026-02-10T11:42:59,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p/struc.xyz' 2026-02-10T11:42:59,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e/struc.xyz' 2026-02-10T11:42:59,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p/struc.xyz' 2026-02-10T11:42:59,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e/struc.xyz' 2026-02-10T11:42:59,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p/struc.xyz' 2026-02-10T11:42:59,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e/struc.xyz' 2026-02-10T11:42:59,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p/struc.xyz' 2026-02-10T11:42:59,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e/struc.xyz' 2026-02-10T11:42:59,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p/struc.xyz' 2026-02-10T11:42:59,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e/struc.xyz' 2026-02-10T11:42:59,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p/struc.xyz' 2026-02-10T11:42:59,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e/struc.xyz' 2026-02-10T11:42:59,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p/struc.xyz' 2026-02-10T11:42:59,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e/struc.xyz' 2026-02-10T11:42:59,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p/struc.xyz' 2026-02-10T11:42:59,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e/struc.xyz' 2026-02-10T11:42:59,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p/struc.xyz' 2026-02-10T11:42:59,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e/struc.xyz' 2026-02-10T11:42:59,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p/struc.xyz' 2026-02-10T11:42:59,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e/struc.xyz' 2026-02-10T11:42:59,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p/struc.xyz' 2026-02-10T11:42:59,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e/struc.xyz' 2026-02-10T11:42:59,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p/struc.xyz' 2026-02-10T11:42:59,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e/struc.xyz' 2026-02-10T11:42:59,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p/struc.xyz' 2026-02-10T11:42:59,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e/struc.xyz' 2026-02-10T11:42:59,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p/struc.xyz' 2026-02-10T11:42:59,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e/struc.xyz' 2026-02-10T11:42:59,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p/struc.xyz' 2026-02-10T11:42:59,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e/struc.xyz' 2026-02-10T11:42:59,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p/struc.xyz' 2026-02-10T11:42:59,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01/struc.xyz' 2026-02-10T11:42:59,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02/struc.xyz' 2026-02-10T11:42:59,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03/struc.xyz' 2026-02-10T11:42:59,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04/struc.xyz' 2026-02-10T11:42:59,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05/struc.xyz' 2026-02-10T11:42:59,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06/struc.xyz' 2026-02-10T11:42:59,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07/struc.xyz' 2026-02-10T11:42:59,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08/struc.xyz' 2026-02-10T11:42:59,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09/struc.xyz' 2026-02-10T11:42:59,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10/struc.xyz' 2026-02-10T11:42:59,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11/struc.xyz' 2026-02-10T11:42:59,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12/struc.xyz' 2026-02-10T11:42:59,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13/struc.xyz' 2026-02-10T11:42:59,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14/struc.xyz' 2026-02-10T11:42:59,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15/struc.xyz' 2026-02-10T11:42:59,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16/struc.xyz' 2026-02-10T11:42:59,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17/struc.xyz' 2026-02-10T11:42:59,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18/struc.xyz' 2026-02-10T11:42:59,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19/struc.xyz' 2026-02-10T11:42:59,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20/struc.xyz' 2026-02-10T11:42:59,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21/struc.xyz' 2026-02-10T11:42:59,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22/struc.xyz' 2026-02-10T11:42:59,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23/struc.xyz' 2026-02-10T11:42:59,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24/struc.xyz' 2026-02-10T11:42:59,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25/struc.xyz' 2026-02-10T11:42:59,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26/struc.xyz' 2026-02-10T11:42:59,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27/struc.xyz' 2026-02-10T11:42:59,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28/struc.xyz' 2026-02-10T11:42:59,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29/struc.xyz' 2026-02-10T11:42:59,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30/struc.xyz' 2026-02-10T11:42:59,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31/struc.xyz' 2026-02-10T11:42:59,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32/struc.xyz' 2026-02-10T11:42:59,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33/struc.xyz' 2026-02-10T11:42:59,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34/struc.xyz' 2026-02-10T11:42:59,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35/struc.xyz' 2026-02-10T11:42:59,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36/struc.xyz' 2026-02-10T11:42:59,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37/struc.xyz' 2026-02-10T11:42:59,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38/struc.xyz' 2026-02-10T11:42:59,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39/struc.xyz' 2026-02-10T11:42:59,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40/struc.xyz' 2026-02-10T11:42:59,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41/struc.xyz' 2026-02-10T11:42:59,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42/struc.xyz' 2026-02-10T11:42:59,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43/struc.xyz' 2026-02-10T11:42:59,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3/struc.xyz' 2026-02-10T11:42:59,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3/struc.xyz' 2026-02-10T11:42:59,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2/struc.xyz' 2026-02-10T11:42:59,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4/struc.xyz' 2026-02-10T11:42:59,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2/struc.xyz' 2026-02-10T11:42:59,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2/struc.xyz' 2026-02-10T11:42:59,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2/struc.xyz' 2026-02-10T11:42:59,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH/struc.xyz' 2026-02-10T11:42:59,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2/struc.xyz' 2026-02-10T11:42:59,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2/struc.xyz' 2026-02-10T11:42:59,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH/struc.xyz' 2026-02-10T11:42:59,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2/struc.xyz' 2026-02-10T11:42:59,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2/struc.xyz' 2026-02-10T11:42:59,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2/struc.xyz' 2026-02-10T11:42:59,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4/struc.xyz' 2026-02-10T11:42:59,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1/struc.xyz' 2026-02-10T11:42:59,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10/struc.xyz' 2026-02-10T11:42:59,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11/struc.xyz' 2026-02-10T11:42:59,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12/struc.xyz' 2026-02-10T11:42:59,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13/struc.xyz' 2026-02-10T11:42:59,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14/struc.xyz' 2026-02-10T11:42:59,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15/struc.xyz' 2026-02-10T11:42:59,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16/struc.xyz' 2026-02-10T11:42:59,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17/struc.xyz' 2026-02-10T11:42:59,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18/struc.xyz' 2026-02-10T11:42:59,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19/struc.xyz' 2026-02-10T11:42:59,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2/struc.xyz' 2026-02-10T11:42:59,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20/struc.xyz' 2026-02-10T11:42:59,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21/struc.xyz' 2026-02-10T11:42:59,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22/struc.xyz' 2026-02-10T11:42:59,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23/struc.xyz' 2026-02-10T11:42:59,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24/struc.xyz' 2026-02-10T11:42:59,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25/struc.xyz' 2026-02-10T11:42:59,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26/struc.xyz' 2026-02-10T11:42:59,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27/struc.xyz' 2026-02-10T11:42:59,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28/struc.xyz' 2026-02-10T11:42:59,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29/struc.xyz' 2026-02-10T11:42:59,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3/struc.xyz' 2026-02-10T11:42:59,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30/struc.xyz' 2026-02-10T11:42:59,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31/struc.xyz' 2026-02-10T11:42:59,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32/struc.xyz' 2026-02-10T11:42:59,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33/struc.xyz' 2026-02-10T11:42:59,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34/struc.xyz' 2026-02-10T11:42:59,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35/struc.xyz' 2026-02-10T11:42:59,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36/struc.xyz' 2026-02-10T11:42:59,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37/struc.xyz' 2026-02-10T11:42:59,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38/struc.xyz' 2026-02-10T11:42:59,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39/struc.xyz' 2026-02-10T11:42:59,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4/struc.xyz' 2026-02-10T11:42:59,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40/struc.xyz' 2026-02-10T11:42:59,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41/struc.xyz' 2026-02-10T11:42:59,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42/struc.xyz' 2026-02-10T11:42:59,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43/struc.xyz' 2026-02-10T11:42:59,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44/struc.xyz' 2026-02-10T11:42:59,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45/struc.xyz' 2026-02-10T11:42:59,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46/struc.xyz' 2026-02-10T11:42:59,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47/struc.xyz' 2026-02-10T11:42:59,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48/struc.xyz' 2026-02-10T11:42:59,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49/struc.xyz' 2026-02-10T11:42:59,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5/struc.xyz' 2026-02-10T11:42:59,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50/struc.xyz' 2026-02-10T11:42:59,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51/struc.xyz' 2026-02-10T11:42:59,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52/struc.xyz' 2026-02-10T11:42:59,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6/struc.xyz' 2026-02-10T11:42:59,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7/struc.xyz' 2026-02-10T11:42:59,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8/struc.xyz' 2026-02-10T11:42:59,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9/struc.xyz' 2026-02-10T11:42:59,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3/struc.xyz' 2026-02-10T11:42:59,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz' 2026-02-10T11:42:59,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3/struc.xyz' 2026-02-10T11:42:59,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3/struc.xyz' 2026-02-10T11:42:59,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3/struc.xyz' 2026-02-10T11:42:59,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3/struc.xyz' 2026-02-10T11:42:59,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2/struc.xyz' 2026-02-10T11:42:59,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl/struc.xyz' 2026-02-10T11:42:59,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F/struc.xyz' 2026-02-10T11:42:59,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H/struc.xyz' 2026-02-10T11:42:59,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3/struc.xyz' 2026-02-10T11:42:59,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3/struc.xyz' 2026-02-10T11:42:59,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3/struc.xyz' 2026-02-10T11:42:59,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz/struc.xyz' 2026-02-10T11:42:59,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut/struc.xyz' 2026-02-10T11:42:59,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch/struc.xyz' 2026-02-10T11:42:59,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2/struc.xyz' 2026-02-10T11:42:59,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh/struc.xyz' 2026-02-10T11:42:59,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2/struc.xyz' 2026-02-10T11:42:59,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3/struc.xyz' 2026-02-10T11:42:59,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3/struc.xyz' 2026-02-10T11:42:59,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A/struc.xyz' 2026-02-10T11:42:59,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap/struc.xyz' 2026-02-10T11:42:59,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C/struc.xyz' 2026-02-10T11:42:59,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp/struc.xyz' 2026-02-10T11:42:59,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G/struc.xyz' 2026-02-10T11:42:59,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp/struc.xyz' 2026-02-10T11:42:59,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T/struc.xyz' 2026-02-10T11:42:59,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp/struc.xyz' 2026-02-10T11:42:59,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass/struc.xyz' 2026-02-10T11:42:59,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp/struc.xyz' 2026-02-10T11:42:59,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6/struc.xyz' 2026-02-10T11:42:59,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p/struc.xyz' 2026-02-10T11:42:59,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2/struc.xyz' 2026-02-10T11:42:59,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p/struc.xyz' 2026-02-10T11:42:59,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s/struc.xyz' 2026-02-10T11:42:59,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp/struc.xyz' 2026-02-10T11:42:59,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh/struc.xyz' 2026-02-10T11:42:59,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp/struc.xyz' 2026-02-10T11:43:00,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys/struc.xyz' 2026-02-10T11:43:00,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp/struc.xyz' 2026-02-10T11:43:00,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol/struc.xyz' 2026-02-10T11:43:00,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp/struc.xyz' 2026-02-10T11:43:00,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly/struc.xyz' 2026-02-10T11:43:00,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp/struc.xyz' 2026-02-10T11:43:00,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2/struc.xyz' 2026-02-10T11:43:00,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o/struc.xyz' 2026-02-10T11:43:00,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op/struc.xyz' 2026-02-10T11:43:00,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p/struc.xyz' 2026-02-10T11:43:00,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s/struc.xyz' 2026-02-10T11:43:00,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp/struc.xyz' 2026-02-10T11:43:00,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl/struc.xyz' 2026-02-10T11:43:00,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp/struc.xyz' 2026-02-10T11:43:00,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3/struc.xyz' 2026-02-10T11:43:00,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p/struc.xyz' 2026-02-10T11:43:00,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2/struc.xyz' 2026-02-10T11:43:00,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p/struc.xyz' 2026-02-10T11:43:00,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4/struc.xyz' 2026-02-10T11:43:00,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p/struc.xyz' 2026-02-10T11:43:00,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6/struc.xyz' 2026-02-10T11:43:00,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p/struc.xyz' 2026-02-10T11:43:00,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8/struc.xyz' 2026-02-10T11:43:00,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz' 2026-02-10T11:43:00,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3/struc.xyz' 2026-02-10T11:43:00,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p/struc.xyz' 2026-02-10T11:43:00,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol/struc.xyz' 2026-02-10T11:43:00,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp/struc.xyz' 2026-02-10T11:43:00,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol/struc.xyz' 2026-02-10T11:43:00,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp/struc.xyz' 2026-02-10T11:43:00,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6/struc.xyz' 2026-02-10T11:43:00,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p/struc.xyz' 2026-02-10T11:43:00,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4/struc.xyz' 2026-02-10T11:43:00,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p/struc.xyz' 2026-02-10T11:43:00,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0/struc.xyz' 2026-02-10T11:43:00,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1/struc.xyz' 2026-02-10T11:43:00,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2/struc.xyz' 2026-02-10T11:43:00,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0/struc.xyz' 2026-02-10T11:43:00,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1/struc.xyz' 2026-02-10T11:43:00,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2/struc.xyz' 2026-02-10T11:43:00,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3/struc.xyz' 2026-02-10T11:43:00,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1/struc.xyz' 2026-02-10T11:43:00,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2/struc.xyz' 2026-02-10T11:43:00,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3/struc.xyz' 2026-02-10T11:43:00,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0/struc.xyz' 2026-02-10T11:43:00,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2/struc.xyz' 2026-02-10T11:43:00,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41/struc.xyz' 2026-02-10T11:43:00,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42/struc.xyz' 2026-02-10T11:43:00,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43/struc.xyz' 2026-02-10T11:43:00,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41/struc.xyz' 2026-02-10T11:43:00,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42/struc.xyz' 2026-02-10T11:43:00,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71/struc.xyz' 2026-02-10T11:43:00,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72/struc.xyz' 2026-02-10T11:43:00,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71/struc.xyz' 2026-02-10T11:43:00,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72/struc.xyz' 2026-02-10T11:43:00,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0/struc.xyz' 2026-02-10T11:43:00,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1/struc.xyz' 2026-02-10T11:43:00,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2/struc.xyz' 2026-02-10T11:43:00,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3/struc.xyz' 2026-02-10T11:43:00,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41/struc.xyz' 2026-02-10T11:43:00,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42/struc.xyz' 2026-02-10T11:43:00,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0/struc.xyz' 2026-02-10T11:43:00,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2/struc.xyz' 2026-02-10T11:43:00,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3/struc.xyz' 2026-02-10T11:43:00,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4/struc.xyz' 2026-02-10T11:43:00,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114/struc.xyz' 2026-02-10T11:43:00,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215/struc.xyz' 2026-02-10T11:43:00,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224/struc.xyz' 2026-02-10T11:43:00,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300/struc.xyz' 2026-02-10T11:43:00,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357/struc.xyz' 2026-02-10T11:43:00,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366/struc.xyz' 2026-02-10T11:43:00,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412/struc.xyz' 2026-02-10T11:43:00,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444/struc.xyz' 2026-02-10T11:43:00,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470/struc.xyz' 2026-02-10T11:43:00,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691/struc.xyz' 2026-02-10T11:43:00,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99/struc.xyz' 2026-02-10T11:43:00,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL/struc.xyz' 2026-02-10T11:43:00,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR/struc.xyz' 2026-02-10T11:43:00,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab/struc.xyz' 2026-02-10T11:43:00,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b/struc.xyz' 2026-02-10T11:43:00,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII/struc.xyz' 2026-02-10T11:43:00,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL/struc.xyz' 2026-02-10T11:43:00,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR/struc.xyz' 2026-02-10T11:43:00,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab/struc.xyz' 2026-02-10T11:43:00,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b/struc.xyz' 2026-02-10T11:43:00,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII/struc.xyz' 2026-02-10T11:43:00,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1/struc.xyz' 2026-02-10T11:43:00,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10/struc.xyz' 2026-02-10T11:43:00,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a/struc.xyz' 2026-02-10T11:43:00,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b/struc.xyz' 2026-02-10T11:43:00,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11/struc.xyz' 2026-02-10T11:43:00,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a/struc.xyz' 2026-02-10T11:43:00,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b/struc.xyz' 2026-02-10T11:43:00,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12/struc.xyz' 2026-02-10T11:43:00,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a/struc.xyz' 2026-02-10T11:43:00,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b/struc.xyz' 2026-02-10T11:43:00,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13/struc.xyz' 2026-02-10T11:43:00,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a/struc.xyz' 2026-02-10T11:43:00,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b/struc.xyz' 2026-02-10T11:43:00,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14/struc.xyz' 2026-02-10T11:43:00,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a/struc.xyz' 2026-02-10T11:43:00,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b/struc.xyz' 2026-02-10T11:43:00,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15/struc.xyz' 2026-02-10T11:43:00,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a/struc.xyz' 2026-02-10T11:43:00,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b/struc.xyz' 2026-02-10T11:43:00,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16/struc.xyz' 2026-02-10T11:43:00,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a/struc.xyz' 2026-02-10T11:43:00,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b/struc.xyz' 2026-02-10T11:43:00,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17/struc.xyz' 2026-02-10T11:43:00,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a/struc.xyz' 2026-02-10T11:43:00,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b/struc.xyz' 2026-02-10T11:43:00,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18/struc.xyz' 2026-02-10T11:43:00,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a/struc.xyz' 2026-02-10T11:43:00,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b/struc.xyz' 2026-02-10T11:43:00,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19/struc.xyz' 2026-02-10T11:43:00,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a/struc.xyz' 2026-02-10T11:43:00,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b/struc.xyz' 2026-02-10T11:43:00,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a/struc.xyz' 2026-02-10T11:43:00,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b/struc.xyz' 2026-02-10T11:43:00,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2/struc.xyz' 2026-02-10T11:43:00,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20/struc.xyz' 2026-02-10T11:43:00,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a/struc.xyz' 2026-02-10T11:43:00,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b/struc.xyz' 2026-02-10T11:43:00,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21/struc.xyz' 2026-02-10T11:43:00,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a/struc.xyz' 2026-02-10T11:43:00,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b/struc.xyz' 2026-02-10T11:43:00,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22/struc.xyz' 2026-02-10T11:43:00,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a/struc.xyz' 2026-02-10T11:43:00,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b/struc.xyz' 2026-02-10T11:43:00,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23/struc.xyz' 2026-02-10T11:43:00,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a/struc.xyz' 2026-02-10T11:43:00,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b/struc.xyz' 2026-02-10T11:43:00,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a/struc.xyz' 2026-02-10T11:43:00,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b/struc.xyz' 2026-02-10T11:43:00,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3/struc.xyz' 2026-02-10T11:43:00,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a/struc.xyz' 2026-02-10T11:43:00,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b/struc.xyz' 2026-02-10T11:43:00,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4/struc.xyz' 2026-02-10T11:43:00,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a/struc.xyz' 2026-02-10T11:43:00,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b/struc.xyz' 2026-02-10T11:43:00,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5/struc.xyz' 2026-02-10T11:43:00,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a/struc.xyz' 2026-02-10T11:43:00,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b/struc.xyz' 2026-02-10T11:43:00,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6/struc.xyz' 2026-02-10T11:43:00,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a/struc.xyz' 2026-02-10T11:43:00,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b/struc.xyz' 2026-02-10T11:43:00,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7/struc.xyz' 2026-02-10T11:43:00,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a/struc.xyz' 2026-02-10T11:43:00,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b/struc.xyz' 2026-02-10T11:43:00,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8/struc.xyz' 2026-02-10T11:43:00,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a/struc.xyz' 2026-02-10T11:43:00,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b/struc.xyz' 2026-02-10T11:43:00,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9/struc.xyz' 2026-02-10T11:43:00,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a/struc.xyz' 2026-02-10T11:43:00,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b/struc.xyz' 2026-02-10T11:43:00,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o/struc.xyz' 2026-02-10T11:43:00,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2/struc.xyz' 2026-02-10T11:43:00,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts/struc.xyz' 2026-02-10T11:43:00,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3/struc.xyz' 2026-02-10T11:43:00,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts/struc.xyz' 2026-02-10T11:43:00,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4/struc.xyz' 2026-02-10T11:43:00,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts/struc.xyz' 2026-02-10T11:43:00,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5/struc.xyz' 2026-02-10T11:43:00,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts/struc.xyz' 2026-02-10T11:43:00,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6/struc.xyz' 2026-02-10T11:43:00,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts/struc.xyz' 2026-02-10T11:43:00,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf/struc.xyz' 2026-02-10T11:43:00,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2/struc.xyz' 2026-02-10T11:43:00,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts/struc.xyz' 2026-02-10T11:43:00,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3/struc.xyz' 2026-02-10T11:43:00,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts/struc.xyz' 2026-02-10T11:43:00,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4/struc.xyz' 2026-02-10T11:43:00,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts/struc.xyz' 2026-02-10T11:43:00,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5/struc.xyz' 2026-02-10T11:43:00,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts/struc.xyz' 2026-02-10T11:43:00,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6/struc.xyz' 2026-02-10T11:43:00,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts/struc.xyz' 2026-02-10T11:43:00,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3/struc.xyz' 2026-02-10T11:43:00,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2/struc.xyz' 2026-02-10T11:43:00,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts/struc.xyz' 2026-02-10T11:43:00,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3/struc.xyz' 2026-02-10T11:43:00,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts/struc.xyz' 2026-02-10T11:43:00,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4/struc.xyz' 2026-02-10T11:43:00,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts/struc.xyz' 2026-02-10T11:43:00,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e/struc.xyz' 2026-02-10T11:43:00,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1/struc.xyz' 2026-02-10T11:43:00,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2/struc.xyz' 2026-02-10T11:43:00,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e/struc.xyz' 2026-02-10T11:43:00,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1/struc.xyz' 2026-02-10T11:43:00,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2/struc.xyz' 2026-02-10T11:43:00,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3/struc.xyz' 2026-02-10T11:43:00,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e/struc.xyz' 2026-02-10T11:43:00,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1/struc.xyz' 2026-02-10T11:43:00,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2/struc.xyz' 2026-02-10T11:43:00,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3/struc.xyz' 2026-02-10T11:43:00,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e/struc.xyz' 2026-02-10T11:43:00,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1/struc.xyz' 2026-02-10T11:43:00,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2/struc.xyz' 2026-02-10T11:43:00,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3/struc.xyz' 2026-02-10T11:43:00,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1/struc.xyz' 2026-02-10T11:43:00,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2/struc.xyz' 2026-02-10T11:43:00,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3/struc.xyz' 2026-02-10T11:43:00,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e/struc.xyz' 2026-02-10T11:43:00,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p/struc.xyz' 2026-02-10T11:43:00,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e/struc.xyz' 2026-02-10T11:43:00,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p/struc.xyz' 2026-02-10T11:43:00,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e/struc.xyz' 2026-02-10T11:43:00,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int/struc.xyz' 2026-02-10T11:43:00,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1/struc.xyz' 2026-02-10T11:43:00,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3/struc.xyz' 2026-02-10T11:43:00,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e/struc.xyz' 2026-02-10T11:43:00,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1/struc.xyz' 2026-02-10T11:43:00,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2/struc.xyz' 2026-02-10T11:43:00,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3/struc.xyz' 2026-02-10T11:43:00,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4/struc.xyz' 2026-02-10T11:43:00,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5/struc.xyz' 2026-02-10T11:43:00,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6/struc.xyz' 2026-02-10T11:43:00,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e/struc.xyz' 2026-02-10T11:43:00,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1/struc.xyz' 2026-02-10T11:43:00,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e/struc.xyz' 2026-02-10T11:43:00,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1/struc.xyz' 2026-02-10T11:43:00,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2/struc.xyz' 2026-02-10T11:43:00,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene/struc.xyz' 2026-02-10T11:43:00,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me/struc.xyz' 2026-02-10T11:43:00,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr/struc.xyz' 2026-02-10T11:43:00,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar/struc.xyz' 2026-02-10T11:43:00,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2/struc.xyz' 2026-02-10T11:43:00,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3/struc.xyz' 2026-02-10T11:43:00,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4/struc.xyz' 2026-02-10T11:43:00,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz/struc.xyz' 2026-02-10T11:43:00,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr/struc.xyz' 2026-02-10T11:43:00,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe/struc.xyz' 2026-02-10T11:43:00,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2/struc.xyz' 2026-02-10T11:43:00,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar/struc.xyz' 2026-02-10T11:43:00,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne/struc.xyz' 2026-02-10T11:43:00,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6/struc.xyz' 2026-02-10T11:43:00,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar/struc.xyz' 2026-02-10T11:43:00,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne/struc.xyz' 2026-02-10T11:43:00,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf/struc.xyz' 2026-02-10T11:43:00,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr/struc.xyz' 2026-02-10T11:43:00,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr/struc.xyz' 2026-02-10T11:43:00,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe/struc.xyz' 2026-02-10T11:43:00,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr/struc.xyz' 2026-02-10T11:43:00,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2/struc.xyz' 2026-02-10T11:43:00,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3/struc.xyz' 2026-02-10T11:43:00,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne/struc.xyz' 2026-02-10T11:43:00,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2/struc.xyz' 2026-02-10T11:43:00,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3/struc.xyz' 2026-02-10T11:43:00,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4/struc.xyz' 2026-02-10T11:43:00,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6/struc.xyz' 2026-02-10T11:43:00,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1/struc.xyz' 2026-02-10T11:43:00,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10/struc.xyz' 2026-02-10T11:43:00,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11/struc.xyz' 2026-02-10T11:43:00,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12/struc.xyz' 2026-02-10T11:43:00,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13/struc.xyz' 2026-02-10T11:43:00,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15/struc.xyz' 2026-02-10T11:43:00,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16/struc.xyz' 2026-02-10T11:43:00,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17/struc.xyz' 2026-02-10T11:43:00,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18/struc.xyz' 2026-02-10T11:43:00,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19/struc.xyz' 2026-02-10T11:43:00,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2/struc.xyz' 2026-02-10T11:43:00,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20/struc.xyz' 2026-02-10T11:43:00,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21/struc.xyz' 2026-02-10T11:43:00,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22/struc.xyz' 2026-02-10T11:43:00,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23/struc.xyz' 2026-02-10T11:43:00,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24/struc.xyz' 2026-02-10T11:43:00,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25/struc.xyz' 2026-02-10T11:43:00,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26/struc.xyz' 2026-02-10T11:43:00,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27/struc.xyz' 2026-02-10T11:43:00,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28/struc.xyz' 2026-02-10T11:43:00,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29/struc.xyz' 2026-02-10T11:43:00,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3/struc.xyz' 2026-02-10T11:43:00,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30/struc.xyz' 2026-02-10T11:43:00,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31/struc.xyz' 2026-02-10T11:43:00,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32/struc.xyz' 2026-02-10T11:43:00,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33/struc.xyz' 2026-02-10T11:43:00,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34/struc.xyz' 2026-02-10T11:43:00,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35/struc.xyz' 2026-02-10T11:43:00,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36/struc.xyz' 2026-02-10T11:43:00,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37/struc.xyz' 2026-02-10T11:43:00,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38/struc.xyz' 2026-02-10T11:43:00,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39/struc.xyz' 2026-02-10T11:43:00,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4/struc.xyz' 2026-02-10T11:43:00,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40/struc.xyz' 2026-02-10T11:43:00,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41/struc.xyz' 2026-02-10T11:43:00,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42/struc.xyz' 2026-02-10T11:43:00,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43/struc.xyz' 2026-02-10T11:43:00,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44/struc.xyz' 2026-02-10T11:43:00,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45/struc.xyz' 2026-02-10T11:43:00,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5/struc.xyz' 2026-02-10T11:43:00,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6/struc.xyz' 2026-02-10T11:43:00,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7/struc.xyz' 2026-02-10T11:43:00,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8/struc.xyz' 2026-02-10T11:43:00,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9/struc.xyz' 2026-02-10T11:43:00,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1/struc.xyz' 2026-02-10T11:43:00,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10/struc.xyz' 2026-02-10T11:43:00,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11/struc.xyz' 2026-02-10T11:43:00,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12/struc.xyz' 2026-02-10T11:43:00,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13/struc.xyz' 2026-02-10T11:43:00,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15/struc.xyz' 2026-02-10T11:43:00,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16/struc.xyz' 2026-02-10T11:43:00,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17/struc.xyz' 2026-02-10T11:43:00,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18/struc.xyz' 2026-02-10T11:43:00,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19/struc.xyz' 2026-02-10T11:43:00,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2/struc.xyz' 2026-02-10T11:43:00,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20/struc.xyz' 2026-02-10T11:43:00,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21/struc.xyz' 2026-02-10T11:43:00,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22/struc.xyz' 2026-02-10T11:43:00,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23/struc.xyz' 2026-02-10T11:43:00,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24/struc.xyz' 2026-02-10T11:43:00,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25/struc.xyz' 2026-02-10T11:43:00,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26/struc.xyz' 2026-02-10T11:43:00,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27/struc.xyz' 2026-02-10T11:43:00,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28/struc.xyz' 2026-02-10T11:43:00,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29/struc.xyz' 2026-02-10T11:43:00,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3/struc.xyz' 2026-02-10T11:43:00,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30/struc.xyz' 2026-02-10T11:43:00,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31/struc.xyz' 2026-02-10T11:43:00,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32/struc.xyz' 2026-02-10T11:43:00,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33/struc.xyz' 2026-02-10T11:43:00,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34/struc.xyz' 2026-02-10T11:43:00,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35/struc.xyz' 2026-02-10T11:43:00,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36/struc.xyz' 2026-02-10T11:43:00,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37/struc.xyz' 2026-02-10T11:43:00,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38/struc.xyz' 2026-02-10T11:43:00,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39/struc.xyz' 2026-02-10T11:43:00,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4/struc.xyz' 2026-02-10T11:43:00,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz' 2026-02-10T11:43:00,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41/struc.xyz' 2026-02-10T11:43:00,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42/struc.xyz' 2026-02-10T11:43:00,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43/struc.xyz' 2026-02-10T11:43:00,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44/struc.xyz' 2026-02-10T11:43:00,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45/struc.xyz' 2026-02-10T11:43:00,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5/struc.xyz' 2026-02-10T11:43:00,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6/struc.xyz' 2026-02-10T11:43:00,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7/struc.xyz' 2026-02-10T11:43:00,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8/struc.xyz' 2026-02-10T11:43:00,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9/struc.xyz' 2026-02-10T11:43:00,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01/struc.xyz' 2026-02-10T11:43:00,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a/struc.xyz' 2026-02-10T11:43:00,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02/struc.xyz' 2026-02-10T11:43:00,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a/struc.xyz' 2026-02-10T11:43:00,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b/struc.xyz' 2026-02-10T11:43:00,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03/struc.xyz' 2026-02-10T11:43:00,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a/struc.xyz' 2026-02-10T11:43:00,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04/struc.xyz' 2026-02-10T11:43:00,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a/struc.xyz' 2026-02-10T11:43:00,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05/struc.xyz' 2026-02-10T11:43:00,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a/struc.xyz' 2026-02-10T11:43:00,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06/struc.xyz' 2026-02-10T11:43:00,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a/struc.xyz' 2026-02-10T11:43:00,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b/struc.xyz' 2026-02-10T11:43:00,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07/struc.xyz' 2026-02-10T11:43:00,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a/struc.xyz' 2026-02-10T11:43:00,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b/struc.xyz' 2026-02-10T11:43:00,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08/struc.xyz' 2026-02-10T11:43:00,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a/struc.xyz' 2026-02-10T11:43:00,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09/struc.xyz' 2026-02-10T11:43:00,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a/struc.xyz' 2026-02-10T11:43:00,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10/struc.xyz' 2026-02-10T11:43:00,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a/struc.xyz' 2026-02-10T11:43:00,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b/struc.xyz' 2026-02-10T11:43:00,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11/struc.xyz' 2026-02-10T11:43:00,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a/struc.xyz' 2026-02-10T11:43:00,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12/struc.xyz' 2026-02-10T11:43:00,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a/struc.xyz' 2026-02-10T11:43:00,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13/struc.xyz' 2026-02-10T11:43:00,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a/struc.xyz' 2026-02-10T11:43:00,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14/struc.xyz' 2026-02-10T11:43:00,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a/struc.xyz' 2026-02-10T11:43:00,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b/struc.xyz' 2026-02-10T11:43:00,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15/struc.xyz' 2026-02-10T11:43:00,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a/struc.xyz' 2026-02-10T11:43:00,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b/struc.xyz' 2026-02-10T11:43:00,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16/struc.xyz' 2026-02-10T11:43:00,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a/struc.xyz' 2026-02-10T11:43:00,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b/struc.xyz' 2026-02-10T11:43:00,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17/struc.xyz' 2026-02-10T11:43:00,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a/struc.xyz' 2026-02-10T11:43:00,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b/struc.xyz' 2026-02-10T11:43:00,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18/struc.xyz' 2026-02-10T11:43:00,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a/struc.xyz' 2026-02-10T11:43:00,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b/struc.xyz' 2026-02-10T11:43:00,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19/struc.xyz' 2026-02-10T11:43:00,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a/struc.xyz' 2026-02-10T11:43:00,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b/struc.xyz' 2026-02-10T11:43:00,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20/struc.xyz' 2026-02-10T11:43:00,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a/struc.xyz' 2026-02-10T11:43:00,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b/struc.xyz' 2026-02-10T11:43:00,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21/struc.xyz' 2026-02-10T11:43:00,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a/struc.xyz' 2026-02-10T11:43:00,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b/struc.xyz' 2026-02-10T11:43:00,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22/struc.xyz' 2026-02-10T11:43:00,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a/struc.xyz' 2026-02-10T11:43:00,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b/struc.xyz' 2026-02-10T11:43:00,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01/struc.xyz' 2026-02-10T11:43:00,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A/struc.xyz' 2026-02-10T11:43:00,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B/struc.xyz' 2026-02-10T11:43:00,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02/struc.xyz' 2026-02-10T11:43:00,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A/struc.xyz' 2026-02-10T11:43:00,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B/struc.xyz' 2026-02-10T11:43:00,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03/struc.xyz' 2026-02-10T11:43:00,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A/struc.xyz' 2026-02-10T11:43:00,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B/struc.xyz' 2026-02-10T11:43:00,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04/struc.xyz' 2026-02-10T11:43:00,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A/struc.xyz' 2026-02-10T11:43:00,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B/struc.xyz' 2026-02-10T11:43:00,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05/struc.xyz' 2026-02-10T11:43:00,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A/struc.xyz' 2026-02-10T11:43:00,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B/struc.xyz' 2026-02-10T11:43:00,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06/struc.xyz' 2026-02-10T11:43:00,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A/struc.xyz' 2026-02-10T11:43:00,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B/struc.xyz' 2026-02-10T11:43:00,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07/struc.xyz' 2026-02-10T11:43:00,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A/struc.xyz' 2026-02-10T11:43:00,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B/struc.xyz' 2026-02-10T11:43:00,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08/struc.xyz' 2026-02-10T11:43:00,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A/struc.xyz' 2026-02-10T11:43:00,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B/struc.xyz' 2026-02-10T11:43:00,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09/struc.xyz' 2026-02-10T11:43:00,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A/struc.xyz' 2026-02-10T11:43:00,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B/struc.xyz' 2026-02-10T11:43:00,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10/struc.xyz' 2026-02-10T11:43:00,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A/struc.xyz' 2026-02-10T11:43:00,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B/struc.xyz' 2026-02-10T11:43:00,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11/struc.xyz' 2026-02-10T11:43:00,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A/struc.xyz' 2026-02-10T11:43:00,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B/struc.xyz' 2026-02-10T11:43:00,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12/struc.xyz' 2026-02-10T11:43:00,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A/struc.xyz' 2026-02-10T11:43:00,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B/struc.xyz' 2026-02-10T11:43:00,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13/struc.xyz' 2026-02-10T11:43:00,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A/struc.xyz' 2026-02-10T11:43:00,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B/struc.xyz' 2026-02-10T11:43:00,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14/struc.xyz' 2026-02-10T11:43:00,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A/struc.xyz' 2026-02-10T11:43:00,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B/struc.xyz' 2026-02-10T11:43:00,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15/struc.xyz' 2026-02-10T11:43:00,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A/struc.xyz' 2026-02-10T11:43:00,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B/struc.xyz' 2026-02-10T11:43:00,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16/struc.xyz' 2026-02-10T11:43:00,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A/struc.xyz' 2026-02-10T11:43:00,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B/struc.xyz' 2026-02-10T11:43:00,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17/struc.xyz' 2026-02-10T11:43:00,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A/struc.xyz' 2026-02-10T11:43:00,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B/struc.xyz' 2026-02-10T11:43:00,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18/struc.xyz' 2026-02-10T11:43:00,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A/struc.xyz' 2026-02-10T11:43:00,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B/struc.xyz' 2026-02-10T11:43:00,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19/struc.xyz' 2026-02-10T11:43:00,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A/struc.xyz' 2026-02-10T11:43:00,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B/struc.xyz' 2026-02-10T11:43:00,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20/struc.xyz' 2026-02-10T11:43:00,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A/struc.xyz' 2026-02-10T11:43:00,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B/struc.xyz' 2026-02-10T11:43:00,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21/struc.xyz' 2026-02-10T11:43:00,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A/struc.xyz' 2026-02-10T11:43:00,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B/struc.xyz' 2026-02-10T11:43:00,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22/struc.xyz' 2026-02-10T11:43:00,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A/struc.xyz' 2026-02-10T11:43:00,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B/struc.xyz' 2026-02-10T11:43:00,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23/struc.xyz' 2026-02-10T11:43:00,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A/struc.xyz' 2026-02-10T11:43:00,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B/struc.xyz' 2026-02-10T11:43:00,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24/struc.xyz' 2026-02-10T11:43:00,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A/struc.xyz' 2026-02-10T11:43:00,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B/struc.xyz' 2026-02-10T11:43:00,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25/struc.xyz' 2026-02-10T11:43:00,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A/struc.xyz' 2026-02-10T11:43:00,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B/struc.xyz' 2026-02-10T11:43:00,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26/struc.xyz' 2026-02-10T11:43:00,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A/struc.xyz' 2026-02-10T11:43:00,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B/struc.xyz' 2026-02-10T11:43:00,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27/struc.xyz' 2026-02-10T11:43:00,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A/struc.xyz' 2026-02-10T11:43:00,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B/struc.xyz' 2026-02-10T11:43:00,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28/struc.xyz' 2026-02-10T11:43:00,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A/struc.xyz' 2026-02-10T11:43:00,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B/struc.xyz' 2026-02-10T11:43:00,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29/struc.xyz' 2026-02-10T11:43:00,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A/struc.xyz' 2026-02-10T11:43:00,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B/struc.xyz' 2026-02-10T11:43:00,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30/struc.xyz' 2026-02-10T11:43:00,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A/struc.xyz' 2026-02-10T11:43:00,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B/struc.xyz' 2026-02-10T11:43:00,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31/struc.xyz' 2026-02-10T11:43:00,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A/struc.xyz' 2026-02-10T11:43:00,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B/struc.xyz' 2026-02-10T11:43:00,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32/struc.xyz' 2026-02-10T11:43:00,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A/struc.xyz' 2026-02-10T11:43:00,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B/struc.xyz' 2026-02-10T11:43:00,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33/struc.xyz' 2026-02-10T11:43:00,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A/struc.xyz' 2026-02-10T11:43:00,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B/struc.xyz' 2026-02-10T11:43:00,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34/struc.xyz' 2026-02-10T11:43:00,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A/struc.xyz' 2026-02-10T11:43:00,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B/struc.xyz' 2026-02-10T11:43:00,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35/struc.xyz' 2026-02-10T11:43:00,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A/struc.xyz' 2026-02-10T11:43:00,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B/struc.xyz' 2026-02-10T11:43:00,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36/struc.xyz' 2026-02-10T11:43:00,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A/struc.xyz' 2026-02-10T11:43:00,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B/struc.xyz' 2026-02-10T11:43:00,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37/struc.xyz' 2026-02-10T11:43:00,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A/struc.xyz' 2026-02-10T11:43:00,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B/struc.xyz' 2026-02-10T11:43:00,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38/struc.xyz' 2026-02-10T11:43:00,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A/struc.xyz' 2026-02-10T11:43:00,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B/struc.xyz' 2026-02-10T11:43:00,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39/struc.xyz' 2026-02-10T11:43:00,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A/struc.xyz' 2026-02-10T11:43:00,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B/struc.xyz' 2026-02-10T11:43:00,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40/struc.xyz' 2026-02-10T11:43:00,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A/struc.xyz' 2026-02-10T11:43:00,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B/struc.xyz' 2026-02-10T11:43:00,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41/struc.xyz' 2026-02-10T11:43:00,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A/struc.xyz' 2026-02-10T11:43:00,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B/struc.xyz' 2026-02-10T11:43:00,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42/struc.xyz' 2026-02-10T11:43:00,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A/struc.xyz' 2026-02-10T11:43:00,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B/struc.xyz' 2026-02-10T11:43:00,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43/struc.xyz' 2026-02-10T11:43:00,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A/struc.xyz' 2026-02-10T11:43:00,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B/struc.xyz' 2026-02-10T11:43:00,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44/struc.xyz' 2026-02-10T11:43:00,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A/struc.xyz' 2026-02-10T11:43:00,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B/struc.xyz' 2026-02-10T11:43:00,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45/struc.xyz' 2026-02-10T11:43:00,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A/struc.xyz' 2026-02-10T11:43:00,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B/struc.xyz' 2026-02-10T11:43:00,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46/struc.xyz' 2026-02-10T11:43:00,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A/struc.xyz' 2026-02-10T11:43:00,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B/struc.xyz' 2026-02-10T11:43:00,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47/struc.xyz' 2026-02-10T11:43:00,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A/struc.xyz' 2026-02-10T11:43:00,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B/struc.xyz' 2026-02-10T11:43:00,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48/struc.xyz' 2026-02-10T11:43:00,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A/struc.xyz' 2026-02-10T11:43:00,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B/struc.xyz' 2026-02-10T11:43:00,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49/struc.xyz' 2026-02-10T11:43:00,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A/struc.xyz' 2026-02-10T11:43:00,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B/struc.xyz' 2026-02-10T11:43:00,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50/struc.xyz' 2026-02-10T11:43:00,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A/struc.xyz' 2026-02-10T11:43:00,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B/struc.xyz' 2026-02-10T11:43:00,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51/struc.xyz' 2026-02-10T11:43:00,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A/struc.xyz' 2026-02-10T11:43:00,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B/struc.xyz' 2026-02-10T11:43:00,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52/struc.xyz' 2026-02-10T11:43:00,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A/struc.xyz' 2026-02-10T11:43:00,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B/struc.xyz' 2026-02-10T11:43:00,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53/struc.xyz' 2026-02-10T11:43:00,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A/struc.xyz' 2026-02-10T11:43:00,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B/struc.xyz' 2026-02-10T11:43:00,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54/struc.xyz' 2026-02-10T11:43:00,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A/struc.xyz' 2026-02-10T11:43:00,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B/struc.xyz' 2026-02-10T11:43:00,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55/struc.xyz' 2026-02-10T11:43:00,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A/struc.xyz' 2026-02-10T11:43:00,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B/struc.xyz' 2026-02-10T11:43:00,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56/struc.xyz' 2026-02-10T11:43:00,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A/struc.xyz' 2026-02-10T11:43:00,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B/struc.xyz' 2026-02-10T11:43:00,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57/struc.xyz' 2026-02-10T11:43:00,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A/struc.xyz' 2026-02-10T11:43:00,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B/struc.xyz' 2026-02-10T11:43:00,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58/struc.xyz' 2026-02-10T11:43:00,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A/struc.xyz' 2026-02-10T11:43:00,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B/struc.xyz' 2026-02-10T11:43:00,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59/struc.xyz' 2026-02-10T11:43:00,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A/struc.xyz' 2026-02-10T11:43:00,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B/struc.xyz' 2026-02-10T11:43:00,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60/struc.xyz' 2026-02-10T11:43:00,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A/struc.xyz' 2026-02-10T11:43:00,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B/struc.xyz' 2026-02-10T11:43:00,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61/struc.xyz' 2026-02-10T11:43:00,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A/struc.xyz' 2026-02-10T11:43:00,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B/struc.xyz' 2026-02-10T11:43:00,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62/struc.xyz' 2026-02-10T11:43:00,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A/struc.xyz' 2026-02-10T11:43:00,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B/struc.xyz' 2026-02-10T11:43:00,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63/struc.xyz' 2026-02-10T11:43:00,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A/struc.xyz' 2026-02-10T11:43:00,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B/struc.xyz' 2026-02-10T11:43:00,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64/struc.xyz' 2026-02-10T11:43:00,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A/struc.xyz' 2026-02-10T11:43:00,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B/struc.xyz' 2026-02-10T11:43:00,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65/struc.xyz' 2026-02-10T11:43:00,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A/struc.xyz' 2026-02-10T11:43:01,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B/struc.xyz' 2026-02-10T11:43:01,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66/struc.xyz' 2026-02-10T11:43:01,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A/struc.xyz' 2026-02-10T11:43:01,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B/struc.xyz' 2026-02-10T11:43:01,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1/struc.xyz' 2026-02-10T11:43:01,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10/struc.xyz' 2026-02-10T11:43:01,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11/struc.xyz' 2026-02-10T11:43:01,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12/struc.xyz' 2026-02-10T11:43:01,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13/struc.xyz' 2026-02-10T11:43:01,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14/struc.xyz' 2026-02-10T11:43:01,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15/struc.xyz' 2026-02-10T11:43:01,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2/struc.xyz' 2026-02-10T11:43:01,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3/struc.xyz' 2026-02-10T11:43:01,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4/struc.xyz' 2026-02-10T11:43:01,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5/struc.xyz' 2026-02-10T11:43:01,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6/struc.xyz' 2026-02-10T11:43:01,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7/struc.xyz' 2026-02-10T11:43:01,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8/struc.xyz' 2026-02-10T11:43:01,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9/struc.xyz' 2026-02-10T11:43:01,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1/struc.xyz' 2026-02-10T11:43:01,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2/struc.xyz' 2026-02-10T11:43:01,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3/struc.xyz' 2026-02-10T11:43:01,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4/struc.xyz' 2026-02-10T11:43:01,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h/struc.xyz' 2026-02-10T11:43:01,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz' 2026-02-10T11:43:01,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz' 2026-02-10T11:43:01,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz' 2026-02-10T11:43:01,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz' 2026-02-10T11:43:01,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o/struc.xyz' 2026-02-10T11:43:01,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+/struc.xyz' 2026-02-10T11:43:01,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz' 2026-02-10T11:43:01,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz' 2026-02-10T11:43:01,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz' 2026-02-10T11:43:01,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz' 2026-02-10T11:43:01,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he/struc.xyz' 2026-02-10T11:43:01,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+/struc.xyz' 2026-02-10T11:43:01,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz' 2026-02-10T11:43:01,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz' 2026-02-10T11:43:01,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz' 2026-02-10T11:43:01,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz' 2026-02-10T11:43:01,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3/struc.xyz' 2026-02-10T11:43:01,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+/struc.xyz' 2026-02-10T11:43:01,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz' 2026-02-10T11:43:01,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz' 2026-02-10T11:43:01,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz' 2026-02-10T11:43:01,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz' 2026-02-10T11:43:01,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1/struc.xyz' 2026-02-10T11:43:01,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13/struc.xyz' 2026-02-10T11:43:01,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A/struc.xyz' 2026-02-10T11:43:01,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B/struc.xyz' 2026-02-10T11:43:01,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18/struc.xyz' 2026-02-10T11:43:01,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A/struc.xyz' 2026-02-10T11:43:01,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B/struc.xyz' 2026-02-10T11:43:01,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2/struc.xyz' 2026-02-10T11:43:01,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20/struc.xyz' 2026-02-10T11:43:01,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24/struc.xyz' 2026-02-10T11:43:01,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A/struc.xyz' 2026-02-10T11:43:01,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25/struc.xyz' 2026-02-10T11:43:01,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A/struc.xyz' 2026-02-10T11:43:01,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B/struc.xyz' 2026-02-10T11:43:01,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34/struc.xyz' 2026-02-10T11:43:01,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39/struc.xyz' 2026-02-10T11:43:01,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4/struc.xyz' 2026-02-10T11:43:01,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40/struc.xyz' 2026-02-10T11:43:01,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43/struc.xyz' 2026-02-10T11:43:01,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45/struc.xyz' 2026-02-10T11:43:01,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47/struc.xyz' 2026-02-10T11:43:01,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48/struc.xyz' 2026-02-10T11:43:01,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A/struc.xyz' 2026-02-10T11:43:01,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B/struc.xyz' 2026-02-10T11:43:01,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5/struc.xyz' 2026-02-10T11:43:01,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58/struc.xyz' 2026-02-10T11:43:01,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59/struc.xyz' 2026-02-10T11:43:01,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A/struc.xyz' 2026-02-10T11:43:01,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B/struc.xyz' 2026-02-10T11:43:01,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6/struc.xyz' 2026-02-10T11:43:01,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68/struc.xyz' 2026-02-10T11:43:01,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A/struc.xyz' 2026-02-10T11:43:01,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B/struc.xyz' 2026-02-10T11:43:01,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73/struc.xyz' 2026-02-10T11:43:01,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8/struc.xyz' 2026-02-10T11:43:01,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A/struc.xyz' 2026-02-10T11:43:01,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B/struc.xyz' 2026-02-10T11:43:01,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a/struc.xyz' 2026-02-10T11:43:01,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b/struc.xyz' 2026-02-10T11:43:01,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr/struc.xyz' 2026-02-10T11:43:01,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz' 2026-02-10T11:43:01,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4/struc.xyz' 2026-02-10T11:43:01,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20/struc.xyz' 2026-02-10T11:43:01,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12/struc.xyz' 2026-02-10T11:43:01,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n/struc.xyz' 2026-02-10T11:43:01,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14/struc.xyz' 2026-02-10T11:43:01,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n/struc.xyz' 2026-02-10T11:43:01,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20/struc.xyz' 2026-02-10T11:43:01,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n/struc.xyz' 2026-02-10T11:43:01,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21/struc.xyz' 2026-02-10T11:43:01,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n/struc.xyz' 2026-02-10T11:43:01,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25/struc.xyz' 2026-02-10T11:43:01,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n/struc.xyz' 2026-02-10T11:43:01,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s/struc.xyz' 2026-02-10T11:43:01,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-/struc.xyz' 2026-02-10T11:43:01,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O/struc.xyz' 2026-02-10T11:43:01,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS/struc.xyz' 2026-02-10T11:43:01,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S/struc.xyz' 2026-02-10T11:43:01,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS/struc.xyz' 2026-02-10T11:43:01,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64/struc.xyz' 2026-02-10T11:43:01,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67/struc.xyz' 2026-02-10T11:43:01,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71/struc.xyz' 2026-02-10T11:43:01,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74/struc.xyz' 2026-02-10T11:43:01,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76/struc.xyz' 2026-02-10T11:43:01,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78/struc.xyz' 2026-02-10T11:43:01,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80/struc.xyz' 2026-02-10T11:43:01,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH/struc.xyz' 2026-02-10T11:43:01,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr/struc.xyz' 2026-02-10T11:43:01,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl/struc.xyz' 2026-02-10T11:43:01,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2/struc.xyz' 2026-02-10T11:43:01,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm/struc.xyz' 2026-02-10T11:43:01,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O/struc.xyz' 2026-02-10T11:43:01,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1/struc.xyz' 2026-02-10T11:43:01,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20/struc.xyz' 2026-02-10T11:43:01,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH/struc.xyz' 2026-02-10T11:43:01,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl/struc.xyz' 2026-02-10T11:43:01,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02/struc.xyz' 2026-02-10T11:43:01,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10/struc.xyz' 2026-02-10T11:43:01,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17/struc.xyz' 2026-02-10T11:43:01,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al/struc.xyz' 2026-02-10T11:43:01,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl/struc.xyz' 2026-02-10T11:43:01,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3/struc.xyz' 2026-02-10T11:43:01,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar/struc.xyz' 2026-02-10T11:43:01,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2/struc.xyz' 2026-02-10T11:43:01,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3/struc.xyz' 2026-02-10T11:43:01,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4/struc.xyz' 2026-02-10T11:43:01,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b/struc.xyz' 2026-02-10T11:43:01,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2/struc.xyz' 2026-02-10T11:43:01,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be/struc.xyz' 2026-02-10T11:43:01,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+/struc.xyz' 2026-02-10T11:43:01,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+/struc.xyz' 2026-02-10T11:43:01,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c/struc.xyz' 2026-02-10T11:43:01,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2/struc.xyz' 2026-02-10T11:43:01,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar/struc.xyz' 2026-02-10T11:43:01,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne/struc.xyz' 2026-02-10T11:43:01,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p/struc.xyz' 2026-02-10T11:43:01,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca/struc.xyz' 2026-02-10T11:43:01,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao/struc.xyz' 2026-02-10T11:43:01,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2/struc.xyz' 2026-02-10T11:43:01,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2/struc.xyz' 2026-02-10T11:43:01,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s/struc.xyz' 2026-02-10T11:43:01,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp/struc.xyz' 2026-02-10T11:43:01,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3/struc.xyz' 2026-02-10T11:43:01,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f/struc.xyz' 2026-02-10T11:43:01,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl/struc.xyz' 2026-02-10T11:43:01,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2/struc.xyz' 2026-02-10T11:43:01,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf/struc.xyz' 2026-02-10T11:43:01,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f/struc.xyz' 2026-02-10T11:43:01,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+/struc.xyz' 2026-02-10T11:43:01,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic/struc.xyz' 2026-02-10T11:43:01,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h/struc.xyz' 2026-02-10T11:43:01,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2/struc.xyz' 2026-02-10T11:43:01,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25/struc.xyz' 2026-02-10T11:43:01,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5/struc.xyz' 2026-02-10T11:43:01,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75/struc.xyz' 2026-02-10T11:43:01,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2/struc.xyz' 2026-02-10T11:43:01,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis/struc.xyz' 2026-02-10T11:43:01,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans/struc.xyz' 2026-02-10T11:43:01,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p/struc.xyz' 2026-02-10T11:43:01,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s/struc.xyz' 2026-02-10T11:43:01,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2/struc.xyz' 2026-02-10T11:43:01,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis/struc.xyz' 2026-02-10T11:43:01,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+/struc.xyz' 2026-02-10T11:43:01,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2/struc.xyz' 2026-02-10T11:43:01,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl/struc.xyz' 2026-02-10T11:43:01,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp/struc.xyz' 2026-02-10T11:43:01,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn/struc.xyz' 2026-02-10T11:43:01,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts/struc.xyz' 2026-02-10T11:43:01,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco/struc.xyz' 2026-02-10T11:43:01,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots/struc.xyz' 2026-02-10T11:43:01,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he/struc.xyz' 2026-02-10T11:43:01,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+/struc.xyz' 2026-02-10T11:43:01,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf/struc.xyz' 2026-02-10T11:43:01,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr/struc.xyz' 2026-02-10T11:43:01,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe/struc.xyz' 2026-02-10T11:43:01,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts/struc.xyz' 2026-02-10T11:43:01,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2/struc.xyz' 2026-02-10T11:43:01,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts/struc.xyz' 2026-02-10T11:43:01,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc/struc.xyz' 2026-02-10T11:43:01,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn/struc.xyz' 2026-02-10T11:43:01,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo/struc.xyz' 2026-02-10T11:43:01,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k/struc.xyz' 2026-02-10T11:43:01,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf/struc.xyz' 2026-02-10T11:43:01,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr/struc.xyz' 2026-02-10T11:43:01,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2/struc.xyz' 2026-02-10T11:43:01,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3/struc.xyz' 2026-02-10T11:43:01,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg/struc.xyz' 2026-02-10T11:43:01,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+/struc.xyz' 2026-02-10T11:43:01,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs/struc.xyz' 2026-02-10T11:43:01,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne/struc.xyz' 2026-02-10T11:43:01,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3/struc.xyz' 2026-02-10T11:43:01,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4/struc.xyz' 2026-02-10T11:43:01,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz' 2026-02-10T11:43:01,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz' 2026-02-10T11:43:01,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3/struc.xyz' 2026-02-10T11:43:01,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p/struc.xyz' 2026-02-10T11:43:01,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o/struc.xyz' 2026-02-10T11:43:01,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo/struc.xyz' 2026-02-10T11:43:01,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh/struc.xyz' 2026-02-10T11:43:01,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1/struc.xyz' 2026-02-10T11:43:01,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s/struc.xyz' 2026-02-10T11:43:01,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh/struc.xyz' 2026-02-10T11:43:01,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh/struc.xyz' 2026-02-10T11:43:01,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si/struc.xyz' 2026-02-10T11:43:01,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+/struc.xyz' 2026-02-10T11:43:01,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4/struc.xyz' 2026-02-10T11:43:01,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2/struc.xyz' 2026-02-10T11:43:01,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl/struc.xyz' 2026-02-10T11:43:01,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi/struc.xyz' 2026-02-10T11:43:01,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1/struc.xyz' 2026-02-10T11:43:01,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a/struc.xyz' 2026-02-10T11:43:01,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b/struc.xyz' 2026-02-10T11:43:01,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a/struc.xyz' 2026-02-10T11:43:01,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b/struc.xyz' 2026-02-10T11:43:01,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a/struc.xyz' 2026-02-10T11:43:01,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b/struc.xyz' 2026-02-10T11:43:01,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a/struc.xyz' 2026-02-10T11:43:01,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b/struc.xyz' 2026-02-10T11:43:01,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c/struc.xyz' 2026-02-10T11:43:01,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d/struc.xyz' 2026-02-10T11:43:01,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a/struc.xyz' 2026-02-10T11:43:01,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b/struc.xyz' 2026-02-10T11:43:01,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a/struc.xyz' 2026-02-10T11:43:01,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b/struc.xyz' 2026-02-10T11:43:01,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c/struc.xyz' 2026-02-10T11:43:01,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a/struc.xyz' 2026-02-10T11:43:01,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b/struc.xyz' 2026-02-10T11:43:01,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c/struc.xyz' 2026-02-10T11:43:01,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d/struc.xyz' 2026-02-10T11:43:01,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a/struc.xyz' 2026-02-10T11:43:01,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b/struc.xyz' 2026-02-10T11:43:01,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a/struc.xyz' 2026-02-10T11:43:01,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b/struc.xyz' 2026-02-10T11:43:01,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a/struc.xyz' 2026-02-10T11:43:01,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b/struc.xyz' 2026-02-10T11:43:01,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a/struc.xyz' 2026-02-10T11:43:01,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b/struc.xyz' 2026-02-10T11:43:01,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a/struc.xyz' 2026-02-10T11:43:01,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b/struc.xyz' 2026-02-10T11:43:01,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c/struc.xyz' 2026-02-10T11:43:01,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e/struc.xyz' 2026-02-10T11:43:01,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f/struc.xyz' 2026-02-10T11:43:01,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g/struc.xyz' 2026-02-10T11:43:01,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m/struc.xyz' 2026-02-10T11:43:01,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p/struc.xyz' 2026-02-10T11:43:01,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a/struc.xyz' 2026-02-10T11:43:01,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h/struc.xyz' 2026-02-10T11:43:01,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p/struc.xyz' 2026-02-10T11:43:01,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a/struc.xyz' 2026-02-10T11:43:01,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b/struc.xyz' 2026-02-10T11:43:01,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d/struc.xyz' 2026-02-10T11:43:01,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b/struc.xyz' 2026-02-10T11:43:01,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z/struc.xyz' 2026-02-10T11:43:01,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p/struc.xyz' 2026-02-10T11:43:01,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a/struc.xyz' 2026-02-10T11:43:01,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p/struc.xyz' 2026-02-10T11:43:01,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d/struc.xyz' 2026-02-10T11:43:01,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a/struc.xyz' 2026-02-10T11:43:01,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa/struc.xyz' 2026-02-10T11:43:01,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde/struc.xyz' 2026-02-10T11:43:01,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic/struc.xyz' 2026-02-10T11:43:01,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al/struc.xyz' 2026-02-10T11:43:01,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl/struc.xyz' 2026-02-10T11:43:01,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3/struc.xyz' 2026-02-10T11:43:01,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf/struc.xyz' 2026-02-10T11:43:01,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3/struc.xyz' 2026-02-10T11:43:01,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh/struc.xyz' 2026-02-10T11:43:01,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3/struc.xyz' 2026-02-10T11:43:01,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene/struc.xyz' 2026-02-10T11:43:01,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b/struc.xyz' 2026-02-10T11:43:01,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2/struc.xyz' 2026-02-10T11:43:01,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6/struc.xyz' 2026-02-10T11:43:01,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be/struc.xyz' 2026-02-10T11:43:01,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2/struc.xyz' 2026-02-10T11:43:01,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2/struc.xyz' 2026-02-10T11:43:01,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2/struc.xyz' 2026-02-10T11:43:01,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf/struc.xyz' 2026-02-10T11:43:01,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3/struc.xyz' 2026-02-10T11:43:01,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh/struc.xyz' 2026-02-10T11:43:01,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3/struc.xyz' 2026-02-10T11:43:01,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2/struc.xyz' 2026-02-10T11:43:01,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn/struc.xyz' 2026-02-10T11:43:01,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi/struc.xyz' 2026-02-10T11:43:01,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c/struc.xyz' 2026-02-10T11:43:01,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh/struc.xyz' 2026-02-10T11:43:01,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono/struc.xyz' 2026-02-10T11:43:01,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo/struc.xyz' 2026-02-10T11:43:01,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2/struc.xyz' 2026-02-10T11:43:01,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2/struc.xyz' 2026-02-10T11:43:01,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2/struc.xyz' 2026-02-10T11:43:01,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f/struc.xyz' 2026-02-10T11:43:01,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4/struc.xyz' 2026-02-10T11:43:01,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f/struc.xyz' 2026-02-10T11:43:01,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6/struc.xyz' 2026-02-10T11:43:01,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch/struc.xyz' 2026-02-10T11:43:01,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2/struc.xyz' 2026-02-10T11:43:01,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf/struc.xyz' 2026-02-10T11:43:01,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2/struc.xyz' 2026-02-10T11:43:01,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4/struc.xyz' 2026-02-10T11:43:01,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch/struc.xyz' 2026-02-10T11:43:01,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing/struc.xyz' 2026-02-10T11:43:01,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip/struc.xyz' 2026-02-10T11:43:01,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c/struc.xyz' 2026-02-10T11:43:01,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch/struc.xyz' 2026-02-10T11:43:01,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2/struc.xyz' 2026-02-10T11:43:01,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh/struc.xyz' 2026-02-10T11:43:01,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2/struc.xyz' 2026-02-10T11:43:01,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3/struc.xyz' 2026-02-10T11:43:01,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f/struc.xyz' 2026-02-10T11:43:01,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh/struc.xyz' 2026-02-10T11:43:01,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2/struc.xyz' 2026-02-10T11:43:01,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4/struc.xyz' 2026-02-10T11:43:01,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl/struc.xyz' 2026-02-10T11:43:01,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2/struc.xyz' 2026-02-10T11:43:01,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o/struc.xyz' 2026-02-10T11:43:01,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn/struc.xyz' 2026-02-10T11:43:01,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf/struc.xyz' 2026-02-10T11:43:01,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo/struc.xyz' 2026-02-10T11:43:01,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo/struc.xyz' 2026-02-10T11:43:01,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn/struc.xyz' 2026-02-10T11:43:01,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co/struc.xyz' 2026-02-10T11:43:01,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2/struc.xyz' 2026-02-10T11:43:01,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs/struc.xyz' 2026-02-10T11:43:01,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2/struc.xyz' 2026-02-10T11:43:01,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane/struc.xyz' 2026-02-10T11:43:01,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol/struc.xyz' 2026-02-10T11:43:01,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f/struc.xyz' 2026-02-10T11:43:01,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2/struc.xyz' 2026-02-10T11:43:01,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co/struc.xyz' 2026-02-10T11:43:01,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o/struc.xyz' 2026-02-10T11:43:01,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf/struc.xyz' 2026-02-10T11:43:01,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2/struc.xyz' 2026-02-10T11:43:01,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof/struc.xyz' 2026-02-10T11:43:01,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic/struc.xyz' 2026-02-10T11:43:01,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal/struc.xyz' 2026-02-10T11:43:01,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h/struc.xyz' 2026-02-10T11:43:01,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2/struc.xyz' 2026-02-10T11:43:01,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn/struc.xyz' 2026-02-10T11:43:01,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co/struc.xyz' 2026-02-10T11:43:01,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o/struc.xyz' 2026-02-10T11:43:01,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s/struc.xyz' 2026-02-10T11:43:01,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf/struc.xyz' 2026-02-10T11:43:01,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl/struc.xyz' 2026-02-10T11:43:01,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn/struc.xyz' 2026-02-10T11:43:01,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh/struc.xyz' 2026-02-10T11:43:01,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno/struc.xyz' 2026-02-10T11:43:01,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco/struc.xyz' 2026-02-10T11:43:01,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof/struc.xyz' 2026-02-10T11:43:01,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf/struc.xyz' 2026-02-10T11:43:01,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc/struc.xyz' 2026-02-10T11:43:01,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco/struc.xyz' 2026-02-10T11:43:01,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn/struc.xyz' 2026-02-10T11:43:01,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno/struc.xyz' 2026-02-10T11:43:01,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl/struc.xyz' 2026-02-10T11:43:01,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn/struc.xyz' 2026-02-10T11:43:01,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof/struc.xyz' 2026-02-10T11:43:01,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc/struc.xyz' 2026-02-10T11:43:01,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo/struc.xyz' 2026-02-10T11:43:01,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh/struc.xyz' 2026-02-10T11:43:01,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs/struc.xyz' 2026-02-10T11:43:01,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene/struc.xyz' 2026-02-10T11:43:01,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol/struc.xyz' 2026-02-10T11:43:01,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n/struc.xyz' 2026-02-10T11:43:01,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2/struc.xyz' 2026-02-10T11:43:01,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h/struc.xyz' 2026-02-10T11:43:01,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4/struc.xyz' 2026-02-10T11:43:01,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o/struc.xyz' 2026-02-10T11:43:01,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn/struc.xyz' 2026-02-10T11:43:01,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh/struc.xyz' 2026-02-10T11:43:01,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2/struc.xyz' 2026-02-10T11:43:01,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl/struc.xyz' 2026-02-10T11:43:01,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3/struc.xyz' 2026-02-10T11:43:01,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no/struc.xyz' 2026-02-10T11:43:01,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2/struc.xyz' 2026-02-10T11:43:01,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o/struc.xyz' 2026-02-10T11:43:01,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2/struc.xyz' 2026-02-10T11:43:01,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3/struc.xyz' 2026-02-10T11:43:01,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo/struc.xyz' 2026-02-10T11:43:01,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs/struc.xyz' 2026-02-10T11:43:01,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of/struc.xyz' 2026-02-10T11:43:01,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh/struc.xyz' 2026-02-10T11:43:01,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane/struc.xyz' 2026-02-10T11:43:01,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene/struc.xyz' 2026-02-10T11:43:01,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p/struc.xyz' 2026-02-10T11:43:01,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2/struc.xyz' 2026-02-10T11:43:01,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4/struc.xyz' 2026-02-10T11:43:01,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3/struc.xyz' 2026-02-10T11:43:01,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane/struc.xyz' 2026-02-10T11:43:01,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene/struc.xyz' 2026-02-10T11:43:01,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne/struc.xyz' 2026-02-10T11:43:01,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s/struc.xyz' 2026-02-10T11:43:01,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2/struc.xyz' 2026-02-10T11:43:01,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o/struc.xyz' 2026-02-10T11:43:01,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3/struc.xyz' 2026-02-10T11:43:01,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v/struc.xyz' 2026-02-10T11:43:01,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si/struc.xyz' 2026-02-10T11:43:01,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6/struc.xyz' 2026-02-10T11:43:01,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif/struc.xyz' 2026-02-10T11:43:01,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4/struc.xyz' 2026-02-10T11:43:01,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih/struc.xyz' 2026-02-10T11:43:01,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f/struc.xyz' 2026-02-10T11:43:01,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4/struc.xyz' 2026-02-10T11:43:01,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio/struc.xyz' 2026-02-10T11:43:01,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so/struc.xyz' 2026-02-10T11:43:01,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2/struc.xyz' 2026-02-10T11:43:01,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3/struc.xyz' 2026-02-10T11:43:01,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh/struc.xyz' 2026-02-10T11:43:01,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh/struc.xyz' 2026-02-10T11:43:01,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono/struc.xyz' 2026-02-10T11:43:01,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo/struc.xyz' 2026-02-10T11:43:01,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2/struc.xyz' 2026-02-10T11:43:01,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O/struc.xyz' 2026-02-10T11:43:01,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2/struc.xyz' 2026-02-10T11:43:01,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20/struc.xyz' 2026-02-10T11:43:01,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es/struc.xyz' 2026-02-10T11:43:01,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc/struc.xyz' 2026-02-10T11:43:01,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs/struc.xyz' 2026-02-10T11:43:01,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3/struc.xyz' 2026-02-10T11:43:01,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4/struc.xyz' 2026-02-10T11:43:01,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5/struc.xyz' 2026-02-10T11:43:01,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6/struc.xyz' 2026-02-10T11:43:01,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b/struc.xyz' 2026-02-10T11:43:01,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c/struc.xyz' 2026-02-10T11:43:01,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2/struc.xyz' 2026-02-10T11:43:01,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d/struc.xyz' 2026-02-10T11:43:01,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4/struc.xyz' 2026-02-10T11:43:01,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op/struc.xyz' 2026-02-10T11:43:01,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O/struc.xyz' 2026-02-10T11:43:01,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2/struc.xyz' 2026-02-10T11:43:01,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3/struc.xyz' 2026-02-10T11:43:01,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz' 2026-02-10T11:43:01,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz' 2026-02-10T11:43:01,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz' 2026-02-10T11:43:01,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm/struc.xyz' 2026-02-10T11:43:01,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O/struc.xyz' 2026-02-10T11:43:01,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2/struc.xyz' 2026-02-10T11:43:01,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3/struc.xyz' 2026-02-10T11:43:01,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz' 2026-02-10T11:43:01,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz' 2026-02-10T11:43:01,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5/struc.xyz' 2026-02-10T11:43:01,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6/struc.xyz' 2026-02-10T11:43:01,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o/struc.xyz' 2026-02-10T11:43:01,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1/struc.xyz' 2026-02-10T11:43:01,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2/struc.xyz' 2026-02-10T11:43:01,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3/struc.xyz' 2026-02-10T11:43:01,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4/struc.xyz' 2026-02-10T11:43:01,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5/struc.xyz' 2026-02-10T11:43:01,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6/struc.xyz' 2026-02-10T11:43:01,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7/struc.xyz' 2026-02-10T11:43:01,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8/struc.xyz' 2026-02-10T11:43:01,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9/struc.xyz' 2026-02-10T11:43:01,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1/struc.xyz' 2026-02-10T11:43:01,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o/struc.xyz' 2026-02-10T11:43:01,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2/struc.xyz' 2026-02-10T11:43:01,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o/struc.xyz' 2026-02-10T11:43:01,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3/struc.xyz' 2026-02-10T11:43:01,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o/struc.xyz' 2026-02-10T11:43:01,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4/struc.xyz' 2026-02-10T11:43:01,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o/struc.xyz' 2026-02-10T11:43:01,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5/struc.xyz' 2026-02-10T11:43:01,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o/struc.xyz' 2026-02-10T11:43:01,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6/struc.xyz' 2026-02-10T11:43:01,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o/struc.xyz' 2026-02-10T11:43:01,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7/struc.xyz' 2026-02-10T11:43:01,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o/struc.xyz' 2026-02-10T11:43:01,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8/struc.xyz' 2026-02-10T11:43:01,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o/struc.xyz' 2026-02-10T11:43:01,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9/struc.xyz' 2026-02-10T11:43:01,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o/struc.xyz' 2026-02-10T11:43:01,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22/struc.xyz' 2026-02-10T11:43:01,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2/struc.xyz' 2026-02-10T11:43:01,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s/struc.xyz' 2026-02-10T11:43:01,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz' 2026-02-10T11:43:01,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2/struc.xyz' 2026-02-10T11:43:01,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s/struc.xyz' 2026-02-10T11:43:01,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz' 2026-02-10T11:43:01,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2/struc.xyz' 2026-02-10T11:43:01,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s/struc.xyz' 2026-02-10T11:43:01,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz' 2026-02-10T11:43:01,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2/struc.xyz' 2026-02-10T11:43:01,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3/struc.xyz' 2026-02-10T11:43:01,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz' 2026-02-10T11:43:01,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2/struc.xyz' 2026-02-10T11:43:01,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3/struc.xyz' 2026-02-10T11:43:01,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz' 2026-02-10T11:43:01,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2/struc.xyz' 2026-02-10T11:43:01,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3/struc.xyz' 2026-02-10T11:43:01,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz' 2026-02-10T11:43:01,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2/struc.xyz' 2026-02-10T11:43:01,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3/struc.xyz' 2026-02-10T11:43:01,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz' 2026-02-10T11:43:01,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2/struc.xyz' 2026-02-10T11:43:01,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3/struc.xyz' 2026-02-10T11:43:01,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz' 2026-02-10T11:43:01,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2/struc.xyz' 2026-02-10T11:43:01,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3/struc.xyz' 2026-02-10T11:43:01,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz' 2026-02-10T11:43:01,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2/struc.xyz' 2026-02-10T11:43:01,842 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt' 2026-02-10T11:43:01,844 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt' 2026-02-10T11:43:01,845 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt' 2026-02-10T11:43:01,846 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt' 2026-02-10T11:43:01,847 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt' 2026-02-10T11:43:01,849 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt' 2026-02-10T11:43:01,850 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt' 2026-02-10T11:43:01,851 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76.txt' 2026-02-10T11:43:01,852 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt' 2026-02-10T11:43:01,853 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt' 2026-02-10T11:43:01,854 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt' 2026-02-10T11:43:01,855 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt' 2026-02-10T11:43:01,856 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt' 2026-02-10T11:43:01,858 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt' 2026-02-10T11:43:01,859 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_C60ISO.txt' 2026-02-10T11:43:01,860 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt' 2026-02-10T11:43:01,861 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt' 2026-02-10T11:43:01,862 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt' 2026-02-10T11:43:01,863 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DARC.txt' 2026-02-10T11:43:01,865 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DC13.txt' 2026-02-10T11:43:01,866 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt' 2026-02-10T11:43:01,867 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_FH51.txt' 2026-02-10T11:43:01,869 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt' 2026-02-10T11:43:01,870 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt' 2026-02-10T11:43:01,871 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt' 2026-02-10T11:43:01,872 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt' 2026-02-10T11:43:01,873 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt' 2026-02-10T11:43:01,874 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt' 2026-02-10T11:43:01,876 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt' 2026-02-10T11:43:01,877 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IDISP.txt' 2026-02-10T11:43:01,878 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IL16.txt' 2026-02-10T11:43:01,879 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_INV24.txt' 2026-02-10T11:43:01,880 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt' 2026-02-10T11:43:01,882 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISOL24.txt' 2026-02-10T11:43:01,883 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt' 2026-02-10T11:43:01,884 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MCONF.txt' 2026-02-10T11:43:01,885 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_NBPRC.txt' 2026-02-10T11:43:01,886 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PA26.txt' 2026-02-10T11:43:01,888 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PArel.txt' 2026-02-10T11:43:01,889 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PCONF21.txt' 2026-02-10T11:43:01,890 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt' 2026-02-10T11:43:01,891 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PX13.txt' 2026-02-10T11:43:01,893 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RC21.txt' 2026-02-10T11:43:01,894 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RG18.txt' 2026-02-10T11:43:01,895 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt' 2026-02-10T11:43:01,896 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S22.txt' 2026-02-10T11:43:01,898 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S66.txt' 2026-02-10T11:43:01,899 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SCONF.txt' 2026-02-10T11:43:01,900 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt' 2026-02-10T11:43:01,901 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SLIM05.txt' 2026-02-10T11:43:01,903 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt' 2026-02-10T11:43:01,904 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_UPU23.txt' 2026-02-10T11:43:01,905 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt' 2026-02-10T11:43:01,906 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt' 2026-02-10T11:43:01,907 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt' 2026-02-10T11:43:01,909 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt' 2026-02-10T11:43:01,912 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz' 2026-02-10T11:43:01,914 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz' 2026-02-10T11:43:01,915 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-/struc.xyz' 2026-02-10T11:43:01,917 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-/struc.xyz' 2026-02-10T11:43:01,919 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+/struc.xyz' 2026-02-10T11:43:01,921 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz' 2026-02-10T11:43:01,922 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz' 2026-02-10T11:43:01,924 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz' 2026-02-10T11:43:01,927 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-/struc.xyz' 2026-02-10T11:43:01,931 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz' 2026-02-10T11:43:01,935 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz' 2026-02-10T11:43:01,938 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz' 2026-02-10T11:43:01,941 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-/struc.xyz' 2026-02-10T11:43:01,943 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+/struc.xyz' 2026-02-10T11:43:01,945 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz' 2026-02-10T11:43:01,946 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz' 2026-02-10T11:43:01,948 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz' 2026-02-10T11:43:01,950 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz' 2026-02-10T11:43:01,954 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz' 2026-02-10T11:43:01,957 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz' 2026-02-10T11:43:01,960 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz' 2026-02-10T11:43:01,962 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz' 2026-02-10T11:43:01,964 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz' 2026-02-10T11:43:01,966 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz' 2026-02-10T11:43:01,967 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz' 2026-02-10T11:43:01,969 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz' 2026-02-10T11:43:01,971 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz' 2026-02-10T11:43:01,973 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz' 2026-02-10T11:43:01,975 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz' 2026-02-10T11:43:01,976 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz' 2026-02-10T11:43:01,981 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz' 2026-02-10T11:43:01,983 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz' 2026-02-10T11:43:01,986 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz' 2026-02-10T11:43:01,988 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz' 2026-02-10T11:43:01,989 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz' 2026-02-10T11:43:01,991 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz' 2026-02-10T11:43:01,993 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz' 2026-02-10T11:43:01,994 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz' 2026-02-10T11:43:01,996 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz' 2026-02-10T11:43:01,998 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz' 2026-02-10T11:43:01,999 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz' 2026-02-10T11:43:02,001 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz' 2026-02-10T11:43:02,002 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz' 2026-02-10T11:43:02,004 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz' 2026-02-10T11:43:02,005 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz' 2026-02-10T11:43:02,007 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz' 2026-02-10T11:43:02,009 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz' 2026-02-10T11:43:02,010 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz' 2026-02-10T11:43:02,012 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz' 2026-02-10T11:43:02,014 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz' 2026-02-10T11:43:02,016 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz' 2026-02-10T11:43:02,018 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz' 2026-02-10T11:43:02,020 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz' 2026-02-10T11:43:02,021 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz' 2026-02-10T11:43:02,023 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz' 2026-02-10T11:43:02,024 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz' 2026-02-10T11:43:02,026 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz' 2026-02-10T11:43:02,028 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz' 2026-02-10T11:43:02,029 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz' 2026-02-10T11:43:02,031 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz' 2026-02-10T11:43:02,033 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz' 2026-02-10T11:43:02,034 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz' 2026-02-10T11:43:02,036 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz' 2026-02-10T11:43:02,037 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz' 2026-02-10T11:43:02,039 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz' 2026-02-10T11:43:02,040 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz' 2026-02-10T11:43:02,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz' 2026-02-10T11:43:02,043 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz' 2026-02-10T11:43:02,045 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz' 2026-02-10T11:43:02,047 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz' 2026-02-10T11:43:02,048 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz' 2026-02-10T11:43:02,050 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz' 2026-02-10T11:43:02,052 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz' 2026-02-10T11:43:02,054 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz' 2026-02-10T11:43:02,056 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz' 2026-02-10T11:43:02,058 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz' 2026-02-10T11:43:02,060 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz' 2026-02-10T11:43:02,061 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz' 2026-02-10T11:43:02,063 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz' 2026-02-10T11:43:02,065 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz' 2026-02-10T11:43:02,066 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz' 2026-02-10T11:43:02,068 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz' 2026-02-10T11:43:02,069 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz' 2026-02-10T11:43:02,071 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz' 2026-02-10T11:43:02,073 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz' 2026-02-10T11:43:02,075 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz' 2026-02-10T11:43:02,076 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz' 2026-02-10T11:43:02,078 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz' 2026-02-10T11:43:02,079 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz' 2026-02-10T11:43:02,081 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz' 2026-02-10T11:43:02,082 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz' 2026-02-10T11:43:02,084 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz' 2026-02-10T11:43:02,085 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz' 2026-02-10T11:43:02,087 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz' 2026-02-10T11:43:02,089 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz' 2026-02-10T11:43:02,090 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz' 2026-02-10T11:43:02,092 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz' 2026-02-10T11:43:02,094 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz' 2026-02-10T11:43:02,095 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz' 2026-02-10T11:43:02,097 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz' 2026-02-10T11:43:02,098 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz' 2026-02-10T11:43:02,100 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz' 2026-02-10T11:43:02,101 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz' 2026-02-10T11:43:02,103 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz' 2026-02-10T11:43:02,105 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz' 2026-02-10T11:43:02,107 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz' 2026-02-10T11:43:02,108 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz' 2026-02-10T11:43:02,110 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz' 2026-02-10T11:43:02,111 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz' 2026-02-10T11:43:02,113 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz' 2026-02-10T11:43:02,115 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz' 2026-02-10T11:43:02,116 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz' 2026-02-10T11:43:02,118 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz' 2026-02-10T11:43:02,119 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz' 2026-02-10T11:43:02,121 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz' 2026-02-10T11:43:02,122 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz' 2026-02-10T11:43:02,124 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2/struc.xyz' 2026-02-10T11:43:02,126 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz' 2026-02-10T11:43:02,127 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz' 2026-02-10T11:43:02,129 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz' 2026-02-10T11:43:02,131 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz' 2026-02-10T11:43:02,133 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz' 2026-02-10T11:43:02,135 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz' 2026-02-10T11:43:02,137 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz' 2026-02-10T11:43:02,138 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz' 2026-02-10T11:43:02,140 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz' 2026-02-10T11:43:02,141 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz' 2026-02-10T11:43:02,143 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz' 2026-02-10T11:43:02,145 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz' 2026-02-10T11:43:02,146 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz' 2026-02-10T11:43:02,148 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz' 2026-02-10T11:43:02,149 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz' 2026-02-10T11:43:02,151 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz' 2026-02-10T11:43:02,152 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz' 2026-02-10T11:43:02,153 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz' 2026-02-10T11:43:02,155 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz' 2026-02-10T11:43:02,156 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz' 2026-02-10T11:43:02,158 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz' 2026-02-10T11:43:02,160 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz' 2026-02-10T11:43:02,161 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz' 2026-02-10T11:43:02,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz' 2026-02-10T11:43:02,166 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz' 2026-02-10T11:43:02,167 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz' 2026-02-10T11:43:02,169 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz' 2026-02-10T11:43:02,171 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz' 2026-02-10T11:43:02,172 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz' 2026-02-10T11:43:02,174 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz' 2026-02-10T11:43:02,176 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz' 2026-02-10T11:43:02,178 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz' 2026-02-10T11:43:02,180 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz' 2026-02-10T11:43:02,182 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz' 2026-02-10T11:43:02,183 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz' 2026-02-10T11:43:02,185 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz' 2026-02-10T11:43:02,187 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz' 2026-02-10T11:43:02,189 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz' 2026-02-10T11:43:02,191 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz' 2026-02-10T11:43:02,193 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz' 2026-02-10T11:43:02,194 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz' 2026-02-10T11:43:02,196 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz' 2026-02-10T11:43:02,198 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz' 2026-02-10T11:43:02,200 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz' 2026-02-10T11:43:02,202 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz' 2026-02-10T11:43:02,203 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz' 2026-02-10T11:43:02,205 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz' 2026-02-10T11:43:02,207 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz' 2026-02-10T11:43:02,209 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz' 2026-02-10T11:43:02,211 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz' 2026-02-10T11:43:02,212 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz' 2026-02-10T11:43:02,214 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz' 2026-02-10T11:43:02,217 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz' 2026-02-10T11:43:02,218 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz' 2026-02-10T11:43:02,220 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz' 2026-02-10T11:43:02,222 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz' 2026-02-10T11:43:02,224 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz' 2026-02-10T11:43:02,226 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz' 2026-02-10T11:43:02,228 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz' 2026-02-10T11:43:02,230 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz' 2026-02-10T11:43:02,232 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz' 2026-02-10T11:43:02,234 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz' 2026-02-10T11:43:02,236 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz' 2026-02-10T11:43:02,237 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz' 2026-02-10T11:43:02,239 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz' 2026-02-10T11:43:02,240 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz' 2026-02-10T11:43:02,242 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz' 2026-02-10T11:43:02,244 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz' 2026-02-10T11:43:02,246 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz' 2026-02-10T11:43:02,247 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz' 2026-02-10T11:43:02,249 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz' 2026-02-10T11:43:02,252 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz' 2026-02-10T11:43:02,254 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz' 2026-02-10T11:43:02,255 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz' 2026-02-10T11:43:02,257 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz' 2026-02-10T11:43:02,259 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz' 2026-02-10T11:43:02,261 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz' 2026-02-10T11:43:02,263 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz' 2026-02-10T11:43:02,265 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz' 2026-02-10T11:43:02,266 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz' 2026-02-10T11:43:02,268 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz' 2026-02-10T11:43:02,270 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz' 2026-02-10T11:43:02,272 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz' 2026-02-10T11:43:02,274 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz' 2026-02-10T11:43:02,275 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz' 2026-02-10T11:43:02,277 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz' 2026-02-10T11:43:02,279 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz' 2026-02-10T11:43:02,281 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz' 2026-02-10T11:43:02,283 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz' 2026-02-10T11:43:02,285 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz' 2026-02-10T11:43:02,286 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz' 2026-02-10T11:43:02,288 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz' 2026-02-10T11:43:02,290 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz' 2026-02-10T11:43:02,293 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz' 2026-02-10T11:43:02,296 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz' 2026-02-10T11:43:02,298 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz' 2026-02-10T11:43:02,300 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz' 2026-02-10T11:43:02,302 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz' 2026-02-10T11:43:02,304 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz' 2026-02-10T11:43:02,306 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz' 2026-02-10T11:43:02,308 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz' 2026-02-10T11:43:02,310 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz' 2026-02-10T11:43:02,312 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz' 2026-02-10T11:43:02,315 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz' 2026-02-10T11:43:02,316 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz' 2026-02-10T11:43:02,318 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz' 2026-02-10T11:43:02,320 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz' 2026-02-10T11:43:02,322 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz' 2026-02-10T11:43:02,324 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz' 2026-02-10T11:43:02,326 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz' 2026-02-10T11:43:02,327 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz' 2026-02-10T11:43:02,329 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz' 2026-02-10T11:43:02,331 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz' 2026-02-10T11:43:02,333 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz' 2026-02-10T11:43:02,335 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz' 2026-02-10T11:43:02,338 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz' 2026-02-10T11:43:02,340 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz' 2026-02-10T11:43:02,342 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz' 2026-02-10T11:43:02,344 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz' 2026-02-10T11:43:02,346 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz' 2026-02-10T11:43:02,348 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz' 2026-02-10T11:43:02,350 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz' 2026-02-10T11:43:02,351 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz' 2026-02-10T11:43:02,353 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz' 2026-02-10T11:43:02,357 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz' 2026-02-10T11:43:02,359 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz' 2026-02-10T11:43:02,361 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz' 2026-02-10T11:43:02,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz' 2026-02-10T11:43:02,364 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz' 2026-02-10T11:43:02,366 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz' 2026-02-10T11:43:02,368 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz' 2026-02-10T11:43:02,370 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz' 2026-02-10T11:43:02,372 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz' 2026-02-10T11:43:02,374 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz' 2026-02-10T11:43:02,376 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz' 2026-02-10T11:43:02,378 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz' 2026-02-10T11:43:02,380 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz' 2026-02-10T11:43:02,382 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz' 2026-02-10T11:43:02,383 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz' 2026-02-10T11:43:02,385 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz' 2026-02-10T11:43:02,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz' 2026-02-10T11:43:02,390 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz' 2026-02-10T11:43:02,392 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz' 2026-02-10T11:43:02,393 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz' 2026-02-10T11:43:02,395 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz' 2026-02-10T11:43:02,397 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz' 2026-02-10T11:43:02,399 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz' 2026-02-10T11:43:02,401 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz' 2026-02-10T11:43:02,403 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz' 2026-02-10T11:43:02,404 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz' 2026-02-10T11:43:02,406 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz' 2026-02-10T11:43:02,408 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz' 2026-02-10T11:43:02,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz' 2026-02-10T11:43:02,411 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz' 2026-02-10T11:43:02,413 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz' 2026-02-10T11:43:02,414 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz' 2026-02-10T11:43:02,416 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz' 2026-02-10T11:43:02,417 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz' 2026-02-10T11:43:02,419 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz' 2026-02-10T11:43:02,421 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz' 2026-02-10T11:43:02,422 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz' 2026-02-10T11:43:02,424 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz' 2026-02-10T11:43:02,426 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz' 2026-02-10T11:43:02,428 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz' 2026-02-10T11:43:02,430 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz' 2026-02-10T11:43:02,431 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz' 2026-02-10T11:43:02,433 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz' 2026-02-10T11:43:02,435 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz' 2026-02-10T11:43:02,436 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz' 2026-02-10T11:43:02,438 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz' 2026-02-10T11:43:02,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz' 2026-02-10T11:43:02,441 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz' 2026-02-10T11:43:02,443 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz' 2026-02-10T11:43:02,444 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz' 2026-02-10T11:43:02,446 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz' 2026-02-10T11:43:02,448 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz' 2026-02-10T11:43:02,449 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz' 2026-02-10T11:43:02,451 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz' 2026-02-10T11:43:02,452 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz' 2026-02-10T11:43:02,454 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz' 2026-02-10T11:43:02,456 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz' 2026-02-10T11:43:02,458 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz' 2026-02-10T11:43:02,459 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz' 2026-02-10T11:43:02,461 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz' 2026-02-10T11:43:02,463 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz' 2026-02-10T11:43:02,464 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz' 2026-02-10T11:43:02,466 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz' 2026-02-10T11:43:02,468 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz' 2026-02-10T11:43:02,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz' 2026-02-10T11:43:02,471 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz' 2026-02-10T11:43:02,472 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz' 2026-02-10T11:43:02,474 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz' 2026-02-10T11:43:02,476 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz' 2026-02-10T11:43:02,477 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz' 2026-02-10T11:43:02,479 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz' 2026-02-10T11:43:02,481 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz' 2026-02-10T11:43:02,482 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz' 2026-02-10T11:43:02,484 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz' 2026-02-10T11:43:02,486 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz' 2026-02-10T11:43:02,487 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz' 2026-02-10T11:43:02,489 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz' 2026-02-10T11:43:02,490 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz' 2026-02-10T11:43:02,492 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz' 2026-02-10T11:43:02,493 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz' 2026-02-10T11:43:02,495 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz' 2026-02-10T11:43:02,496 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz' 2026-02-10T11:43:02,498 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz' 2026-02-10T11:43:02,499 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz' 2026-02-10T11:43:02,501 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz' 2026-02-10T11:43:02,502 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz' 2026-02-10T11:43:02,506 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz' 2026-02-10T11:43:02,508 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz' 2026-02-10T11:43:02,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz' 2026-02-10T11:43:02,511 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz' 2026-02-10T11:43:02,513 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz' 2026-02-10T11:43:02,515 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz' 2026-02-10T11:43:02,516 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz' 2026-02-10T11:43:02,518 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz' 2026-02-10T11:43:02,520 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz' 2026-02-10T11:43:02,521 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz' 2026-02-10T11:43:02,523 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz' 2026-02-10T11:43:02,525 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz' 2026-02-10T11:43:02,527 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz' 2026-02-10T11:43:02,529 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz' 2026-02-10T11:43:02,531 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz' 2026-02-10T11:43:02,532 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz' 2026-02-10T11:43:02,534 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz' 2026-02-10T11:43:02,535 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz' 2026-02-10T11:43:02,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz' 2026-02-10T11:43:02,539 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz' 2026-02-10T11:43:02,540 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz' 2026-02-10T11:43:02,542 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz' 2026-02-10T11:43:02,544 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz' 2026-02-10T11:43:02,545 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz' 2026-02-10T11:43:02,547 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz' 2026-02-10T11:43:02,549 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz' 2026-02-10T11:43:02,551 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz' 2026-02-10T11:43:02,552 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz' 2026-02-10T11:43:02,554 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz' 2026-02-10T11:43:02,556 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz' 2026-02-10T11:43:02,557 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz' 2026-02-10T11:43:02,559 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz' 2026-02-10T11:43:02,561 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz' 2026-02-10T11:43:02,562 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz' 2026-02-10T11:43:02,564 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz' 2026-02-10T11:43:02,565 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz' 2026-02-10T11:43:02,567 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz' 2026-02-10T11:43:02,568 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz' 2026-02-10T11:43:02,570 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz' 2026-02-10T11:43:02,571 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz' 2026-02-10T11:43:02,573 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz' 2026-02-10T11:43:02,575 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz' 2026-02-10T11:43:02,576 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz' 2026-02-10T11:43:02,578 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz' 2026-02-10T11:43:02,579 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz' 2026-02-10T11:43:02,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz' 2026-02-10T11:43:02,582 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz' 2026-02-10T11:43:02,584 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz' 2026-02-10T11:43:02,586 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz' 2026-02-10T11:43:02,589 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz' 2026-02-10T11:43:02,592 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz' 2026-02-10T11:43:02,595 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz' 2026-02-10T11:43:02,597 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz' 2026-02-10T11:43:02,600 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz' 2026-02-10T11:43:02,603 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz' 2026-02-10T11:43:02,605 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz' 2026-02-10T11:43:02,608 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz' 2026-02-10T11:43:02,609 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz' 2026-02-10T11:43:02,611 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz' 2026-02-10T11:43:02,612 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz' 2026-02-10T11:43:02,614 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz' 2026-02-10T11:43:02,615 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz' 2026-02-10T11:43:02,617 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz' 2026-02-10T11:43:02,619 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz' 2026-02-10T11:43:02,621 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz' 2026-02-10T11:43:02,622 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz' 2026-02-10T11:43:02,624 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz' 2026-02-10T11:43:02,626 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz' 2026-02-10T11:43:02,628 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz' 2026-02-10T11:43:02,631 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz' 2026-02-10T11:43:02,633 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz' 2026-02-10T11:43:02,636 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz' 2026-02-10T11:43:02,638 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz' 2026-02-10T11:43:02,640 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz' 2026-02-10T11:43:02,641 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz' 2026-02-10T11:43:02,643 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz' 2026-02-10T11:43:02,645 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz' 2026-02-10T11:43:02,646 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz' 2026-02-10T11:43:02,648 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz' 2026-02-10T11:43:02,650 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz' 2026-02-10T11:43:02,651 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz' 2026-02-10T11:43:02,653 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz' 2026-02-10T11:43:02,654 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz' 2026-02-10T11:43:02,656 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz' 2026-02-10T11:43:02,657 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz' 2026-02-10T11:43:02,659 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz' 2026-02-10T11:43:02,661 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz' 2026-02-10T11:43:02,662 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz' 2026-02-10T11:43:02,664 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz' 2026-02-10T11:43:02,665 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz' 2026-02-10T11:43:02,667 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz' 2026-02-10T11:43:02,669 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz' 2026-02-10T11:43:02,670 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz' 2026-02-10T11:43:02,672 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz' 2026-02-10T11:43:02,673 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz' 2026-02-10T11:43:02,675 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz' 2026-02-10T11:43:02,677 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz' 2026-02-10T11:43:02,678 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz' 2026-02-10T11:43:02,680 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz' 2026-02-10T11:43:02,682 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz' 2026-02-10T11:43:02,683 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz' 2026-02-10T11:43:02,685 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz' 2026-02-10T11:43:02,687 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz' 2026-02-10T11:43:02,688 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz' 2026-02-10T11:43:02,690 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz' 2026-02-10T11:43:02,691 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz' 2026-02-10T11:43:02,694 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz' 2026-02-10T11:43:02,696 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz' 2026-02-10T11:43:02,698 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz' 2026-02-10T11:43:02,699 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz' 2026-02-10T11:43:02,701 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz' 2026-02-10T11:43:02,703 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz' 2026-02-10T11:43:02,705 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz' 2026-02-10T11:43:02,707 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz' 2026-02-10T11:43:02,708 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz' 2026-02-10T11:43:02,710 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz' 2026-02-10T11:43:02,712 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz' 2026-02-10T11:43:02,714 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz' 2026-02-10T11:43:02,716 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz' 2026-02-10T11:43:02,718 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz' 2026-02-10T11:43:02,719 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz' 2026-02-10T11:43:02,721 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz' 2026-02-10T11:43:02,723 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz' 2026-02-10T11:43:02,724 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz' 2026-02-10T11:43:02,726 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz' 2026-02-10T11:43:02,727 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz' 2026-02-10T11:43:02,729 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz' 2026-02-10T11:43:02,731 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz' 2026-02-10T11:43:02,732 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz' 2026-02-10T11:43:02,734 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz' 2026-02-10T11:43:02,736 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz' 2026-02-10T11:43:02,737 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz' 2026-02-10T11:43:02,739 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz' 2026-02-10T11:43:02,741 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz' 2026-02-10T11:43:02,742 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz' 2026-02-10T11:43:02,744 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz' 2026-02-10T11:43:02,746 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz' 2026-02-10T11:43:02,747 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz' 2026-02-10T11:43:02,749 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz' 2026-02-10T11:43:02,751 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz' 2026-02-10T11:43:02,752 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz' 2026-02-10T11:43:02,754 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz' 2026-02-10T11:43:02,755 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz' 2026-02-10T11:43:02,757 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz' 2026-02-10T11:43:02,759 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz' 2026-02-10T11:43:02,760 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz' 2026-02-10T11:43:02,762 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz' 2026-02-10T11:43:02,764 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz' 2026-02-10T11:43:02,765 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz' 2026-02-10T11:43:02,767 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz' 2026-02-10T11:43:02,769 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz' 2026-02-10T11:43:02,770 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz' 2026-02-10T11:43:02,772 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz' 2026-02-10T11:43:02,774 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz' 2026-02-10T11:43:02,776 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz' 2026-02-10T11:43:02,778 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz' 2026-02-10T11:43:02,779 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz' 2026-02-10T11:43:02,781 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz' 2026-02-10T11:43:02,783 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz' 2026-02-10T11:43:02,784 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz' 2026-02-10T11:43:02,786 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz' 2026-02-10T11:43:02,788 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz' 2026-02-10T11:43:02,790 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz' 2026-02-10T11:43:02,792 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz' 2026-02-10T11:43:02,793 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz' 2026-02-10T11:43:02,795 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz' 2026-02-10T11:43:02,797 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz' 2026-02-10T11:43:02,800 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz' 2026-02-10T11:43:02,802 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz' 2026-02-10T11:43:02,803 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz' 2026-02-10T11:43:02,805 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz' 2026-02-10T11:43:02,807 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz' 2026-02-10T11:43:02,808 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz' 2026-02-10T11:43:02,810 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz' 2026-02-10T11:43:02,812 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz' 2026-02-10T11:43:02,814 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz' 2026-02-10T11:43:02,815 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz' 2026-02-10T11:43:02,817 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz' 2026-02-10T11:43:02,819 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz' 2026-02-10T11:43:02,821 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz' 2026-02-10T11:43:02,822 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz' 2026-02-10T11:43:02,824 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz' 2026-02-10T11:43:02,826 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz' 2026-02-10T11:43:02,828 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz' 2026-02-10T11:43:02,829 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz' 2026-02-10T11:43:02,831 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz' 2026-02-10T11:43:02,832 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz' 2026-02-10T11:43:02,834 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz' 2026-02-10T11:43:02,835 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz' 2026-02-10T11:43:02,837 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz' 2026-02-10T11:43:02,838 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz' 2026-02-10T11:43:02,840 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz' 2026-02-10T11:43:02,841 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz' 2026-02-10T11:43:02,843 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz' 2026-02-10T11:43:02,844 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz' 2026-02-10T11:43:02,846 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz' 2026-02-10T11:43:02,848 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz' 2026-02-10T11:43:02,849 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz' 2026-02-10T11:43:02,851 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz' 2026-02-10T11:43:02,853 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz' 2026-02-10T11:43:02,854 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz' 2026-02-10T11:43:02,856 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz' 2026-02-10T11:43:02,858 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz' 2026-02-10T11:43:02,859 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz' 2026-02-10T11:43:02,861 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz' 2026-02-10T11:43:02,862 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz' 2026-02-10T11:43:02,864 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz' 2026-02-10T11:43:02,867 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz' 2026-02-10T11:43:02,869 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz' 2026-02-10T11:43:02,871 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz' 2026-02-10T11:43:02,872 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz' 2026-02-10T11:43:02,874 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz' 2026-02-10T11:43:02,876 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz' 2026-02-10T11:43:02,877 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz' 2026-02-10T11:43:02,879 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz' 2026-02-10T11:43:02,880 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz' 2026-02-10T11:43:02,882 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz' 2026-02-10T11:43:02,884 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz' 2026-02-10T11:43:02,885 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz' 2026-02-10T11:43:02,887 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz' 2026-02-10T11:43:02,889 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz' 2026-02-10T11:43:02,890 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz' 2026-02-10T11:43:02,892 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz' 2026-02-10T11:43:02,894 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz' 2026-02-10T11:43:02,895 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz' 2026-02-10T11:43:02,897 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz' 2026-02-10T11:43:02,899 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz' 2026-02-10T11:43:02,900 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz' 2026-02-10T11:43:02,902 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz' 2026-02-10T11:43:02,904 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz' 2026-02-10T11:43:02,905 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz' 2026-02-10T11:43:02,907 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz' 2026-02-10T11:43:02,909 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz' 2026-02-10T11:43:02,911 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz' 2026-02-10T11:43:02,912 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz' 2026-02-10T11:43:02,914 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz' 2026-02-10T11:43:02,916 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz' 2026-02-10T11:43:02,918 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz' 2026-02-10T11:43:02,919 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz' 2026-02-10T11:43:02,921 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz' 2026-02-10T11:43:02,922 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz' 2026-02-10T11:43:02,924 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz' 2026-02-10T11:43:02,926 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz' 2026-02-10T11:43:02,928 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz' 2026-02-10T11:43:02,929 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz' 2026-02-10T11:43:02,932 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz' 2026-02-10T11:43:02,934 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz' 2026-02-10T11:43:02,936 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz' 2026-02-10T11:43:02,937 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz' 2026-02-10T11:43:02,939 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz' 2026-02-10T11:43:02,941 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz' 2026-02-10T11:43:02,942 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz' 2026-02-10T11:43:02,944 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz' 2026-02-10T11:43:02,946 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz' 2026-02-10T11:43:02,947 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz' 2026-02-10T11:43:02,949 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz' 2026-02-10T11:43:02,951 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz' 2026-02-10T11:43:02,952 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz' 2026-02-10T11:43:02,954 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz' 2026-02-10T11:43:02,956 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz' 2026-02-10T11:43:02,958 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz' 2026-02-10T11:43:02,959 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz' 2026-02-10T11:43:02,961 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz' 2026-02-10T11:43:02,963 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz' 2026-02-10T11:43:02,965 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz' 2026-02-10T11:43:02,967 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz' 2026-02-10T11:43:02,968 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz' 2026-02-10T11:43:02,970 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz' 2026-02-10T11:43:02,972 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz' 2026-02-10T11:43:02,974 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz' 2026-02-10T11:43:02,975 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz' 2026-02-10T11:43:02,977 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz' 2026-02-10T11:43:02,979 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz' 2026-02-10T11:43:02,981 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz' 2026-02-10T11:43:02,982 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz' 2026-02-10T11:43:02,984 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz' 2026-02-10T11:43:02,986 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz' 2026-02-10T11:43:02,987 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz' 2026-02-10T11:43:02,989 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz' 2026-02-10T11:43:02,991 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz' 2026-02-10T11:43:02,992 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz' 2026-02-10T11:43:02,994 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz' 2026-02-10T11:43:02,995 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz' 2026-02-10T11:43:02,997 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz' 2026-02-10T11:43:02,998 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz' 2026-02-10T11:43:03,000 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz' 2026-02-10T11:43:03,002 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz' 2026-02-10T11:43:03,004 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz' 2026-02-10T11:43:03,006 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz' 2026-02-10T11:43:03,008 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz' 2026-02-10T11:43:03,010 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz' 2026-02-10T11:43:03,011 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz' 2026-02-10T11:43:03,013 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz' 2026-02-10T11:43:03,016 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz' 2026-02-10T11:43:03,019 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz' 2026-02-10T11:43:03,021 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz' 2026-02-10T11:43:03,023 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz' 2026-02-10T11:43:03,024 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz' 2026-02-10T11:43:03,026 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz' 2026-02-10T11:43:03,028 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz' 2026-02-10T11:43:03,030 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz' 2026-02-10T11:43:03,032 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz' 2026-02-10T11:43:03,033 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz' 2026-02-10T11:43:03,035 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz' 2026-02-10T11:43:03,037 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz' 2026-02-10T11:43:03,039 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz' 2026-02-10T11:43:03,040 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz' 2026-02-10T11:43:03,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz' 2026-02-10T11:43:03,043 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz' 2026-02-10T11:43:03,045 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz' 2026-02-10T11:43:03,047 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz' 2026-02-10T11:43:03,049 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz' 2026-02-10T11:43:03,051 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz' 2026-02-10T11:43:03,052 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz' 2026-02-10T11:43:03,054 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz' 2026-02-10T11:43:03,056 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz' 2026-02-10T11:43:03,058 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz' 2026-02-10T11:43:03,060 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz' 2026-02-10T11:43:03,062 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz' 2026-02-10T11:43:03,064 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz' 2026-02-10T11:43:03,067 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz' 2026-02-10T11:43:03,068 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz' 2026-02-10T11:43:03,070 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz' 2026-02-10T11:43:03,071 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz' 2026-02-10T11:43:03,073 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz' 2026-02-10T11:43:03,074 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz' 2026-02-10T11:43:03,076 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz' 2026-02-10T11:43:03,077 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz' 2026-02-10T11:43:03,079 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz' 2026-02-10T11:43:03,081 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz' 2026-02-10T11:43:03,082 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz' 2026-02-10T11:43:03,084 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz' 2026-02-10T11:43:03,086 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz' 2026-02-10T11:43:03,087 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz' 2026-02-10T11:43:03,089 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz' 2026-02-10T11:43:03,090 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz' 2026-02-10T11:43:03,092 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz' 2026-02-10T11:43:03,094 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz' 2026-02-10T11:43:03,095 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz' 2026-02-10T11:43:03,097 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz' 2026-02-10T11:43:03,099 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz' 2026-02-10T11:43:03,101 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz' 2026-02-10T11:43:03,103 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz' 2026-02-10T11:43:03,106 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz' 2026-02-10T11:43:03,108 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz' 2026-02-10T11:43:03,111 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz' 2026-02-10T11:43:03,113 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz' 2026-02-10T11:43:03,116 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz' 2026-02-10T11:43:03,118 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz' 2026-02-10T11:43:03,119 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz' 2026-02-10T11:43:03,121 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz' 2026-02-10T11:43:03,122 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz' 2026-02-10T11:43:03,124 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz' 2026-02-10T11:43:03,126 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz' 2026-02-10T11:43:03,127 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz' 2026-02-10T11:43:03,129 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz' 2026-02-10T11:43:03,131 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz' 2026-02-10T11:43:03,133 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz' 2026-02-10T11:43:03,134 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz' 2026-02-10T11:43:03,136 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz' 2026-02-10T11:43:03,138 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz' 2026-02-10T11:43:03,139 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz' 2026-02-10T11:43:03,141 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz' 2026-02-10T11:43:03,143 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz' 2026-02-10T11:43:03,144 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz' 2026-02-10T11:43:03,146 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz' 2026-02-10T11:43:03,148 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz' 2026-02-10T11:43:03,150 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz' 2026-02-10T11:43:03,151 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz' 2026-02-10T11:43:03,153 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz' 2026-02-10T11:43:03,155 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz' 2026-02-10T11:43:03,157 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz' 2026-02-10T11:43:03,158 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz' 2026-02-10T11:43:03,160 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz' 2026-02-10T11:43:03,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz' 2026-02-10T11:43:03,163 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz' 2026-02-10T11:43:03,165 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz' 2026-02-10T11:43:03,167 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz' 2026-02-10T11:43:03,168 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz' 2026-02-10T11:43:03,170 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz' 2026-02-10T11:43:03,172 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz' 2026-02-10T11:43:03,173 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz' 2026-02-10T11:43:03,175 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz' 2026-02-10T11:43:03,177 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz' 2026-02-10T11:43:03,178 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz' 2026-02-10T11:43:03,180 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz' 2026-02-10T11:43:03,182 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz' 2026-02-10T11:43:03,183 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz' 2026-02-10T11:43:03,185 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz' 2026-02-10T11:43:03,187 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz' 2026-02-10T11:43:03,189 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz' 2026-02-10T11:43:03,190 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz' 2026-02-10T11:43:03,193 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz' 2026-02-10T11:43:03,194 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz' 2026-02-10T11:43:03,196 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz' 2026-02-10T11:43:03,197 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz' 2026-02-10T11:43:03,199 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz' 2026-02-10T11:43:03,200 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz' 2026-02-10T11:43:03,202 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz' 2026-02-10T11:43:03,203 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz' 2026-02-10T11:43:03,205 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz' 2026-02-10T11:43:03,206 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz' 2026-02-10T11:43:03,208 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz' 2026-02-10T11:43:03,209 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz' 2026-02-10T11:43:03,211 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz' 2026-02-10T11:43:03,212 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz' 2026-02-10T11:43:03,214 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz' 2026-02-10T11:43:03,216 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz' 2026-02-10T11:43:03,217 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz' 2026-02-10T11:43:03,219 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz' 2026-02-10T11:43:03,221 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz' 2026-02-10T11:43:03,223 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz' 2026-02-10T11:43:03,224 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz' 2026-02-10T11:43:03,226 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz' 2026-02-10T11:43:03,227 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz' 2026-02-10T11:43:03,229 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz' 2026-02-10T11:43:03,230 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz' 2026-02-10T11:43:03,232 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz' 2026-02-10T11:43:03,234 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz' 2026-02-10T11:43:03,235 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz' 2026-02-10T11:43:03,237 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz' 2026-02-10T11:43:03,239 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz' 2026-02-10T11:43:03,240 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz' 2026-02-10T11:43:03,242 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz' 2026-02-10T11:43:03,243 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz' 2026-02-10T11:43:03,245 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz' 2026-02-10T11:43:03,247 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz' 2026-02-10T11:43:03,248 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz' 2026-02-10T11:43:03,250 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz' 2026-02-10T11:43:03,252 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz' 2026-02-10T11:43:03,253 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz' 2026-02-10T11:43:03,255 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz' 2026-02-10T11:43:03,257 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz' 2026-02-10T11:43:03,259 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz' 2026-02-10T11:43:03,261 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz' 2026-02-10T11:43:03,262 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz' 2026-02-10T11:43:03,264 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz' 2026-02-10T11:43:03,266 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz' 2026-02-10T11:43:03,267 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz' 2026-02-10T11:43:03,269 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz' 2026-02-10T11:43:03,271 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz' 2026-02-10T11:43:03,272 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz' 2026-02-10T11:43:03,274 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz' 2026-02-10T11:43:03,275 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz' 2026-02-10T11:43:03,277 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz' 2026-02-10T11:43:03,278 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz' 2026-02-10T11:43:03,280 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz' 2026-02-10T11:43:03,281 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz' 2026-02-10T11:43:03,283 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz' 2026-02-10T11:43:03,285 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz' 2026-02-10T11:43:03,286 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz' 2026-02-10T11:43:03,288 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz' 2026-02-10T11:43:03,290 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz' 2026-02-10T11:43:03,292 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz' 2026-02-10T11:43:03,295 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz' 2026-02-10T11:43:03,298 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz' 2026-02-10T11:43:03,299 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add/struc.xyz' 2026-02-10T11:43:03,301 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add/struc.xyz' 2026-02-10T11:43:03,302 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz' 2026-02-10T11:43:03,304 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz' 2026-02-10T11:43:03,305 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz' 2026-02-10T11:43:03,307 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz' 2026-02-10T11:43:03,309 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz' 2026-02-10T11:43:03,311 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz' 2026-02-10T11:43:03,312 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz' 2026-02-10T11:43:03,314 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz' 2026-02-10T11:43:03,315 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz' 2026-02-10T11:43:03,317 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz' 2026-02-10T11:43:03,318 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz' 2026-02-10T11:43:03,320 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz' 2026-02-10T11:43:03,321 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz' 2026-02-10T11:43:03,323 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz' 2026-02-10T11:43:03,324 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz' 2026-02-10T11:43:03,326 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz' 2026-02-10T11:43:03,328 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz' 2026-02-10T11:43:03,329 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz' 2026-02-10T11:43:03,331 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz' 2026-02-10T11:43:03,333 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz' 2026-02-10T11:43:03,334 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz' 2026-02-10T11:43:03,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz' 2026-02-10T11:43:03,338 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz' 2026-02-10T11:43:03,340 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz' 2026-02-10T11:43:03,343 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz' 2026-02-10T11:43:03,345 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz' 2026-02-10T11:43:03,347 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz' 2026-02-10T11:43:03,348 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz' 2026-02-10T11:43:03,350 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz' 2026-02-10T11:43:03,352 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz' 2026-02-10T11:43:03,353 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz' 2026-02-10T11:43:03,355 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz' 2026-02-10T11:43:03,357 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz' 2026-02-10T11:43:03,358 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz' 2026-02-10T11:43:03,360 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz' 2026-02-10T11:43:03,362 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz' 2026-02-10T11:43:03,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz' 2026-02-10T11:43:03,365 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz' 2026-02-10T11:43:03,366 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz' 2026-02-10T11:43:03,368 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz' 2026-02-10T11:43:03,370 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz' 2026-02-10T11:43:03,371 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz' 2026-02-10T11:43:03,373 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz' 2026-02-10T11:43:03,374 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz' 2026-02-10T11:43:03,376 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz' 2026-02-10T11:43:03,378 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz' 2026-02-10T11:43:03,380 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz' 2026-02-10T11:43:03,381 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz' 2026-02-10T11:43:03,383 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz' 2026-02-10T11:43:03,385 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz' 2026-02-10T11:43:03,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz' 2026-02-10T11:43:03,388 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz' 2026-02-10T11:43:03,390 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz' 2026-02-10T11:43:03,392 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz' 2026-02-10T11:43:03,394 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz' 2026-02-10T11:43:03,396 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz' 2026-02-10T11:43:03,397 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz' 2026-02-10T11:43:03,399 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz' 2026-02-10T11:43:03,400 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz' 2026-02-10T11:43:03,402 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz' 2026-02-10T11:43:03,404 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz' 2026-02-10T11:43:03,406 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz' 2026-02-10T11:43:03,407 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz' 2026-02-10T11:43:03,409 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz' 2026-02-10T11:43:03,411 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz' 2026-02-10T11:43:03,412 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz' 2026-02-10T11:43:03,414 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz' 2026-02-10T11:43:03,415 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz' 2026-02-10T11:43:03,417 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz' 2026-02-10T11:43:03,419 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz' 2026-02-10T11:43:03,421 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz' 2026-02-10T11:43:03,422 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz' 2026-02-10T11:43:03,424 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz' 2026-02-10T11:43:03,426 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2/struc.xyz' 2026-02-10T11:43:03,427 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2/struc.xyz' 2026-02-10T11:43:03,429 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz' 2026-02-10T11:43:03,430 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz' 2026-02-10T11:43:03,432 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene/struc.xyz' 2026-02-10T11:43:03,434 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz' 2026-02-10T11:43:03,436 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz' 2026-02-10T11:43:03,437 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz' 2026-02-10T11:43:03,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz' 2026-02-10T11:43:03,440 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz' 2026-02-10T11:43:03,442 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz' 2026-02-10T11:43:03,444 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz' 2026-02-10T11:43:03,445 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz' 2026-02-10T11:43:03,447 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz' 2026-02-10T11:43:03,448 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz' 2026-02-10T11:43:03,450 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz' 2026-02-10T11:43:03,452 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz' 2026-02-10T11:43:03,453 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz' 2026-02-10T11:43:03,455 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz' 2026-02-10T11:43:03,457 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz' 2026-02-10T11:43:03,459 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz' 2026-02-10T11:43:03,461 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz' 2026-02-10T11:43:03,464 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz' 2026-02-10T11:43:03,466 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz' 2026-02-10T11:43:03,468 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz' 2026-02-10T11:43:03,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz' 2026-02-10T11:43:03,471 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz' 2026-02-10T11:43:03,473 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz' 2026-02-10T11:43:03,475 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz' 2026-02-10T11:43:03,477 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz' 2026-02-10T11:43:03,479 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz' 2026-02-10T11:43:03,481 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz' 2026-02-10T11:43:03,482 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz' 2026-02-10T11:43:03,484 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz' 2026-02-10T11:43:03,486 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz' 2026-02-10T11:43:03,488 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz' 2026-02-10T11:43:03,489 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz' 2026-02-10T11:43:03,491 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene/struc.xyz' 2026-02-10T11:43:03,494 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz' 2026-02-10T11:43:03,496 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz' 2026-02-10T11:43:03,497 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz' 2026-02-10T11:43:03,499 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz' 2026-02-10T11:43:03,501 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz' 2026-02-10T11:43:03,503 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz' 2026-02-10T11:43:03,504 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz' 2026-02-10T11:43:03,506 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz' 2026-02-10T11:43:03,507 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz' 2026-02-10T11:43:03,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz' 2026-02-10T11:43:03,511 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz' 2026-02-10T11:43:03,512 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz' 2026-02-10T11:43:03,514 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz' 2026-02-10T11:43:03,516 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz' 2026-02-10T11:43:03,517 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz' 2026-02-10T11:43:03,519 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz' 2026-02-10T11:43:03,520 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz' 2026-02-10T11:43:03,522 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz' 2026-02-10T11:43:03,523 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz' 2026-02-10T11:43:03,525 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz' 2026-02-10T11:43:03,526 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz' 2026-02-10T11:43:03,528 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz' 2026-02-10T11:43:03,529 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz' 2026-02-10T11:43:03,531 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz' 2026-02-10T11:43:03,532 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz' 2026-02-10T11:43:03,534 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz' 2026-02-10T11:43:03,536 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz' 2026-02-10T11:43:03,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz' 2026-02-10T11:43:03,539 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz' 2026-02-10T11:43:03,540 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz' 2026-02-10T11:43:03,542 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz' 2026-02-10T11:43:03,543 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz' 2026-02-10T11:43:03,545 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz' 2026-02-10T11:43:03,546 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz' 2026-02-10T11:43:03,548 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz' 2026-02-10T11:43:03,549 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz' 2026-02-10T11:43:03,551 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz' 2026-02-10T11:43:03,553 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz' 2026-02-10T11:43:03,554 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz' 2026-02-10T11:43:03,556 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz' 2026-02-10T11:43:03,558 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz' 2026-02-10T11:43:03,559 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz' 2026-02-10T11:43:03,561 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz' 2026-02-10T11:43:03,563 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz' 2026-02-10T11:43:03,565 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz' 2026-02-10T11:43:03,567 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz' 2026-02-10T11:43:03,568 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz' 2026-02-10T11:43:03,570 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz' 2026-02-10T11:43:03,572 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz' 2026-02-10T11:43:03,573 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz' 2026-02-10T11:43:03,576 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz' 2026-02-10T11:43:03,578 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz' 2026-02-10T11:43:03,579 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz' 2026-02-10T11:43:03,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz' 2026-02-10T11:43:03,582 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz' 2026-02-10T11:43:03,584 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz' 2026-02-10T11:43:03,586 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz' 2026-02-10T11:43:03,587 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz' 2026-02-10T11:43:03,589 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz' 2026-02-10T11:43:03,590 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz' 2026-02-10T11:43:03,592 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz' 2026-02-10T11:43:03,593 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz' 2026-02-10T11:43:03,595 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz' 2026-02-10T11:43:03,597 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz' 2026-02-10T11:43:03,598 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz' 2026-02-10T11:43:03,600 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz' 2026-02-10T11:43:03,601 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz' 2026-02-10T11:43:03,603 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz' 2026-02-10T11:43:03,604 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz' 2026-02-10T11:43:03,606 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz' 2026-02-10T11:43:03,607 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz' 2026-02-10T11:43:03,609 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz' 2026-02-10T11:43:03,610 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz' 2026-02-10T11:43:03,612 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz' 2026-02-10T11:43:03,613 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz' 2026-02-10T11:43:03,615 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz' 2026-02-10T11:43:03,616 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz' 2026-02-10T11:43:03,618 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz' 2026-02-10T11:43:03,620 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz' 2026-02-10T11:43:03,621 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz' 2026-02-10T11:43:03,623 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz' 2026-02-10T11:43:03,624 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz' 2026-02-10T11:43:03,626 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz' 2026-02-10T11:43:03,628 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz' 2026-02-10T11:43:03,629 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz' 2026-02-10T11:43:03,631 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz' 2026-02-10T11:43:03,633 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz' 2026-02-10T11:43:03,635 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz' 2026-02-10T11:43:03,636 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz' 2026-02-10T11:43:03,638 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz' 2026-02-10T11:43:03,640 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz' 2026-02-10T11:43:03,641 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz' 2026-02-10T11:43:03,643 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz' 2026-02-10T11:43:03,645 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz' 2026-02-10T11:43:03,647 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz' 2026-02-10T11:43:03,648 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz' 2026-02-10T11:43:03,650 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz' 2026-02-10T11:43:03,652 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz' 2026-02-10T11:43:03,654 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz' 2026-02-10T11:43:03,655 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz' 2026-02-10T11:43:03,657 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz' 2026-02-10T11:43:03,658 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz' 2026-02-10T11:43:03,660 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz' 2026-02-10T11:43:03,661 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz' 2026-02-10T11:43:03,663 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz' 2026-02-10T11:43:03,664 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz' 2026-02-10T11:43:03,666 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz' 2026-02-10T11:43:03,668 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz' 2026-02-10T11:43:03,669 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz' 2026-02-10T11:43:03,671 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz' 2026-02-10T11:43:03,673 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz' 2026-02-10T11:43:03,675 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz' 2026-02-10T11:43:03,676 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz' 2026-02-10T11:43:03,678 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz' 2026-02-10T11:43:03,679 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz' 2026-02-10T11:43:03,681 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz' 2026-02-10T11:43:03,682 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz' 2026-02-10T11:43:03,684 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz' 2026-02-10T11:43:03,685 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz' 2026-02-10T11:43:03,687 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz' 2026-02-10T11:43:03,688 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz' 2026-02-10T11:43:03,691 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz' 2026-02-10T11:43:03,693 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz' 2026-02-10T11:43:03,695 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz' 2026-02-10T11:43:03,696 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz' 2026-02-10T11:43:03,698 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz' 2026-02-10T11:43:03,700 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz' 2026-02-10T11:43:03,701 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz' 2026-02-10T11:43:03,703 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz' 2026-02-10T11:43:03,705 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz' 2026-02-10T11:43:03,706 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz' 2026-02-10T11:43:03,708 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz' 2026-02-10T11:43:03,710 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz' 2026-02-10T11:43:03,712 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz' 2026-02-10T11:43:03,714 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz' 2026-02-10T11:43:03,716 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz' 2026-02-10T11:43:03,718 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz' 2026-02-10T11:43:03,720 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz' 2026-02-10T11:43:03,721 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz' 2026-02-10T11:43:03,723 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz' 2026-02-10T11:43:03,725 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz' 2026-02-10T11:43:03,726 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz' 2026-02-10T11:43:03,728 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz' 2026-02-10T11:43:03,730 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz' 2026-02-10T11:43:03,732 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz' 2026-02-10T11:43:03,734 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz' 2026-02-10T11:43:03,736 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz' 2026-02-10T11:43:03,737 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz' 2026-02-10T11:43:03,739 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz' 2026-02-10T11:43:03,740 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz' 2026-02-10T11:43:03,742 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz' 2026-02-10T11:43:03,743 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz' 2026-02-10T11:43:03,745 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz' 2026-02-10T11:43:03,746 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz' 2026-02-10T11:43:03,747 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz' 2026-02-10T11:43:03,749 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz' 2026-02-10T11:43:03,751 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz' 2026-02-10T11:43:03,752 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz' 2026-02-10T11:43:03,754 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz' 2026-02-10T11:43:03,755 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz' 2026-02-10T11:43:03,757 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz' 2026-02-10T11:43:03,758 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz' 2026-02-10T11:43:03,760 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz' 2026-02-10T11:43:03,761 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz' 2026-02-10T11:43:03,763 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz' 2026-02-10T11:43:03,764 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz' 2026-02-10T11:43:03,766 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz' 2026-02-10T11:43:03,768 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz' 2026-02-10T11:43:03,771 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA/struc.xyz' 2026-02-10T11:43:03,773 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz' 2026-02-10T11:43:03,775 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB/struc.xyz' 2026-02-10T11:43:03,776 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA/struc.xyz' 2026-02-10T11:43:03,778 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz' 2026-02-10T11:43:03,780 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB/struc.xyz' 2026-02-10T11:43:03,781 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz' 2026-02-10T11:43:03,783 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz' 2026-02-10T11:43:03,784 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz' 2026-02-10T11:43:03,786 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz' 2026-02-10T11:43:03,788 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz' 2026-02-10T11:43:03,790 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz' 2026-02-10T11:43:03,791 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz' 2026-02-10T11:43:03,793 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz' 2026-02-10T11:43:03,795 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz' 2026-02-10T11:43:03,797 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz' 2026-02-10T11:43:03,798 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz' 2026-02-10T11:43:03,800 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz' 2026-02-10T11:43:03,801 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz' 2026-02-10T11:43:03,803 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz' 2026-02-10T11:43:03,805 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz' 2026-02-10T11:43:03,807 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz' 2026-02-10T11:43:03,808 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz' 2026-02-10T11:43:03,810 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz' 2026-02-10T11:43:03,812 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz' 2026-02-10T11:43:03,813 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz' 2026-02-10T11:43:03,815 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz' 2026-02-10T11:43:03,817 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz' 2026-02-10T11:43:03,819 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz' 2026-02-10T11:43:03,820 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz' 2026-02-10T11:43:03,822 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz' 2026-02-10T11:43:03,824 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz' 2026-02-10T11:43:03,826 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz' 2026-02-10T11:43:03,827 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz' 2026-02-10T11:43:03,829 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz' 2026-02-10T11:43:03,831 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz' 2026-02-10T11:43:03,832 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz' 2026-02-10T11:43:03,834 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz' 2026-02-10T11:43:03,835 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz' 2026-02-10T11:43:03,837 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz' 2026-02-10T11:43:03,839 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz' 2026-02-10T11:43:03,841 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz' 2026-02-10T11:43:03,842 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz' 2026-02-10T11:43:03,844 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz' 2026-02-10T11:43:03,846 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz' 2026-02-10T11:43:03,847 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz' 2026-02-10T11:43:03,849 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz' 2026-02-10T11:43:03,850 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz' 2026-02-10T11:43:03,852 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz' 2026-02-10T11:43:03,854 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz' 2026-02-10T11:43:03,855 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz' 2026-02-10T11:43:03,857 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz' 2026-02-10T11:43:03,859 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz' 2026-02-10T11:43:03,861 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz' 2026-02-10T11:43:03,862 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz' 2026-02-10T11:43:03,864 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz' 2026-02-10T11:43:03,866 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz' 2026-02-10T11:43:03,867 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz' 2026-02-10T11:43:03,869 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz' 2026-02-10T11:43:03,871 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz' 2026-02-10T11:43:03,872 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz' 2026-02-10T11:43:03,874 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz' 2026-02-10T11:43:03,876 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz' 2026-02-10T11:43:03,877 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz' 2026-02-10T11:43:03,879 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz' 2026-02-10T11:43:03,881 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz' 2026-02-10T11:43:03,884 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz' 2026-02-10T11:43:03,885 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz' 2026-02-10T11:43:03,887 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz' 2026-02-10T11:43:03,888 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz' 2026-02-10T11:43:03,890 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz' 2026-02-10T11:43:03,891 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz' 2026-02-10T11:43:03,893 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz' 2026-02-10T11:43:03,895 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz' 2026-02-10T11:43:03,896 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz' 2026-02-10T11:43:03,898 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz' 2026-02-10T11:43:03,899 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz' 2026-02-10T11:43:03,901 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz' 2026-02-10T11:43:03,903 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz' 2026-02-10T11:43:03,905 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz' 2026-02-10T11:43:03,907 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz' 2026-02-10T11:43:03,909 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz' 2026-02-10T11:43:03,911 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz' 2026-02-10T11:43:03,912 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz' 2026-02-10T11:43:03,914 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz' 2026-02-10T11:43:03,916 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz' 2026-02-10T11:43:03,918 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz' 2026-02-10T11:43:03,920 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz' 2026-02-10T11:43:03,922 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz' 2026-02-10T11:43:03,923 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz' 2026-02-10T11:43:03,925 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz' 2026-02-10T11:43:03,927 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz' 2026-02-10T11:43:03,928 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz' 2026-02-10T11:43:03,930 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz' 2026-02-10T11:43:03,931 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz' 2026-02-10T11:43:03,933 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz' 2026-02-10T11:43:03,935 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz' 2026-02-10T11:43:03,937 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz' 2026-02-10T11:43:03,939 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz' 2026-02-10T11:43:03,940 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz' 2026-02-10T11:43:03,942 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz' 2026-02-10T11:43:03,943 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz' 2026-02-10T11:43:03,945 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz' 2026-02-10T11:43:03,947 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz' 2026-02-10T11:43:03,948 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz' 2026-02-10T11:43:03,951 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz' 2026-02-10T11:43:03,952 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz' 2026-02-10T11:43:03,954 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz' 2026-02-10T11:43:03,956 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz' 2026-02-10T11:43:03,958 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz' 2026-02-10T11:43:03,959 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz' 2026-02-10T11:43:03,961 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz' 2026-02-10T11:43:03,962 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz' 2026-02-10T11:43:03,964 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz' 2026-02-10T11:43:03,965 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz' 2026-02-10T11:43:03,967 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz' 2026-02-10T11:43:03,968 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz' 2026-02-10T11:43:03,970 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz' 2026-02-10T11:43:03,971 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz' 2026-02-10T11:43:03,973 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz' 2026-02-10T11:43:03,974 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz' 2026-02-10T11:43:03,976 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz' 2026-02-10T11:43:03,978 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz' 2026-02-10T11:43:03,979 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz' 2026-02-10T11:43:03,981 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz' 2026-02-10T11:43:03,983 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz' 2026-02-10T11:43:03,985 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz' 2026-02-10T11:43:03,987 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz' 2026-02-10T11:43:03,988 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz' 2026-02-10T11:43:03,990 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz' 2026-02-10T11:43:03,992 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz' 2026-02-10T11:43:03,993 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz' 2026-02-10T11:43:03,995 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz' 2026-02-10T11:43:03,997 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz' 2026-02-10T11:43:03,998 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz' 2026-02-10T11:43:04,000 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz' 2026-02-10T11:43:04,001 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz' 2026-02-10T11:43:04,003 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz' 2026-02-10T11:43:04,005 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz' 2026-02-10T11:43:04,007 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz' 2026-02-10T11:43:04,009 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz' 2026-02-10T11:43:04,011 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz' 2026-02-10T11:43:04,012 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz' 2026-02-10T11:43:04,015 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz' 2026-02-10T11:43:04,016 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz' 2026-02-10T11:43:04,018 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz' 2026-02-10T11:43:04,019 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz' 2026-02-10T11:43:04,021 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz' 2026-02-10T11:43:04,023 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz' 2026-02-10T11:43:04,024 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz' 2026-02-10T11:43:04,026 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz' 2026-02-10T11:43:04,027 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz' 2026-02-10T11:43:04,029 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz' 2026-02-10T11:43:04,031 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz' 2026-02-10T11:43:04,033 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz' 2026-02-10T11:43:04,034 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz' 2026-02-10T11:43:04,036 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz' 2026-02-10T11:43:04,037 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz' 2026-02-10T11:43:04,039 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz' 2026-02-10T11:43:04,040 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz' 2026-02-10T11:43:04,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz' 2026-02-10T11:43:04,043 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz' 2026-02-10T11:43:04,045 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz' 2026-02-10T11:43:04,046 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz' 2026-02-10T11:43:04,048 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz' 2026-02-10T11:43:04,050 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz' 2026-02-10T11:43:04,052 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz' 2026-02-10T11:43:04,053 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz' 2026-02-10T11:43:04,055 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz' 2026-02-10T11:43:04,057 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz' 2026-02-10T11:43:04,058 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz' 2026-02-10T11:43:04,060 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz' 2026-02-10T11:43:04,061 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz' 2026-02-10T11:43:04,063 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz' 2026-02-10T11:43:04,065 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz' 2026-02-10T11:43:04,066 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz' 2026-02-10T11:43:04,068 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz' 2026-02-10T11:43:04,070 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz' 2026-02-10T11:43:04,072 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz' 2026-02-10T11:43:04,074 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz' 2026-02-10T11:43:04,076 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz' 2026-02-10T11:43:04,078 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz' 2026-02-10T11:43:04,080 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz' 2026-02-10T11:43:04,081 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz' 2026-02-10T11:43:04,083 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz' 2026-02-10T11:43:04,084 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz' 2026-02-10T11:43:04,086 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz' 2026-02-10T11:43:04,088 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz' 2026-02-10T11:43:04,089 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz' 2026-02-10T11:43:04,091 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz' 2026-02-10T11:43:04,093 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz' 2026-02-10T11:43:04,095 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz' 2026-02-10T11:43:04,097 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz' 2026-02-10T11:43:04,099 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz' 2026-02-10T11:43:04,101 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz' 2026-02-10T11:43:04,102 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz' 2026-02-10T11:43:04,104 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz' 2026-02-10T11:43:04,106 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz' 2026-02-10T11:43:04,107 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz' 2026-02-10T11:43:04,109 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz' 2026-02-10T11:43:04,111 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz' 2026-02-10T11:43:04,113 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz' 2026-02-10T11:43:04,114 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz' 2026-02-10T11:43:04,116 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz' 2026-02-10T11:43:04,118 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz' 2026-02-10T11:43:04,120 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz' 2026-02-10T11:43:04,122 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz' 2026-02-10T11:43:04,123 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz' 2026-02-10T11:43:04,125 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz' 2026-02-10T11:43:04,126 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz' 2026-02-10T11:43:04,128 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz' 2026-02-10T11:43:04,129 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz' 2026-02-10T11:43:04,131 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz' 2026-02-10T11:43:04,133 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz' 2026-02-10T11:43:04,134 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz' 2026-02-10T11:43:04,136 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz' 2026-02-10T11:43:04,137 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz' 2026-02-10T11:43:04,139 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz' 2026-02-10T11:43:04,141 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz' 2026-02-10T11:43:04,142 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz' 2026-02-10T11:43:04,144 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz' 2026-02-10T11:43:04,146 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz' 2026-02-10T11:43:04,147 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz' 2026-02-10T11:43:04,149 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz' 2026-02-10T11:43:04,151 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz' 2026-02-10T11:43:04,153 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz' 2026-02-10T11:43:04,154 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz' 2026-02-10T11:43:04,156 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz' 2026-02-10T11:43:04,158 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz' 2026-02-10T11:43:04,159 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz' 2026-02-10T11:43:04,161 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz' 2026-02-10T11:43:04,163 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz' 2026-02-10T11:43:04,164 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz' 2026-02-10T11:43:04,166 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz' 2026-02-10T11:43:04,168 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz' 2026-02-10T11:43:04,170 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz' 2026-02-10T11:43:04,171 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz' 2026-02-10T11:43:04,173 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz' 2026-02-10T11:43:04,175 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz' 2026-02-10T11:43:04,177 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz' 2026-02-10T11:43:04,178 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz' 2026-02-10T11:43:04,180 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz' 2026-02-10T11:43:04,182 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz' 2026-02-10T11:43:04,184 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz' 2026-02-10T11:43:04,186 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz' 2026-02-10T11:43:04,188 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz' 2026-02-10T11:43:04,190 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz' 2026-02-10T11:43:04,192 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz' 2026-02-10T11:43:04,193 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz' 2026-02-10T11:43:04,195 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz' 2026-02-10T11:43:04,197 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz' 2026-02-10T11:43:04,199 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz' 2026-02-10T11:43:04,200 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz' 2026-02-10T11:43:04,203 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz' 2026-02-10T11:43:04,205 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz' 2026-02-10T11:43:04,207 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz' 2026-02-10T11:43:04,208 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz' 2026-02-10T11:43:04,210 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz' 2026-02-10T11:43:04,212 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz' 2026-02-10T11:43:04,214 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz' 2026-02-10T11:43:04,216 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz' 2026-02-10T11:43:04,218 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz' 2026-02-10T11:43:04,219 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz' 2026-02-10T11:43:04,221 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz' 2026-02-10T11:43:04,223 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz' 2026-02-10T11:43:04,225 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz' 2026-02-10T11:43:04,226 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz' 2026-02-10T11:43:04,228 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz' 2026-02-10T11:43:04,229 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz' 2026-02-10T11:43:04,231 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz' 2026-02-10T11:43:04,233 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz' 2026-02-10T11:43:04,235 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz' 2026-02-10T11:43:04,237 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz' 2026-02-10T11:43:04,239 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz' 2026-02-10T11:43:04,241 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz' 2026-02-10T11:43:04,242 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz' 2026-02-10T11:43:04,244 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz' 2026-02-10T11:43:04,245 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz' 2026-02-10T11:43:04,247 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz' 2026-02-10T11:43:04,249 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz' 2026-02-10T11:43:04,251 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz' 2026-02-10T11:43:04,253 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz' 2026-02-10T11:43:04,255 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz' 2026-02-10T11:43:04,256 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz' 2026-02-10T11:43:04,258 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz' 2026-02-10T11:43:04,260 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz' 2026-02-10T11:43:04,262 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz' 2026-02-10T11:43:04,264 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz' 2026-02-10T11:43:04,266 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz' 2026-02-10T11:43:04,267 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz' 2026-02-10T11:43:04,269 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz' 2026-02-10T11:43:04,271 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz' 2026-02-10T11:43:04,273 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz' 2026-02-10T11:43:04,274 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz' 2026-02-10T11:43:04,276 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz' 2026-02-10T11:43:04,278 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz' 2026-02-10T11:43:04,280 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz' 2026-02-10T11:43:04,281 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz' 2026-02-10T11:43:04,283 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz' 2026-02-10T11:43:04,285 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz' 2026-02-10T11:43:04,287 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz' 2026-02-10T11:43:04,290 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz' 2026-02-10T11:43:04,291 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz' 2026-02-10T11:43:04,293 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz' 2026-02-10T11:43:04,295 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz' 2026-02-10T11:43:04,296 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz' 2026-02-10T11:43:04,298 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz' 2026-02-10T11:43:04,300 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz' 2026-02-10T11:43:04,301 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz' 2026-02-10T11:43:04,303 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz' 2026-02-10T11:43:04,304 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz' 2026-02-10T11:43:04,306 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz' 2026-02-10T11:43:04,308 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz' 2026-02-10T11:43:04,309 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz' 2026-02-10T11:43:04,311 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz' 2026-02-10T11:43:04,313 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz' 2026-02-10T11:43:04,314 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz' 2026-02-10T11:43:04,316 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz' 2026-02-10T11:43:04,318 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz' 2026-02-10T11:43:04,320 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz' 2026-02-10T11:43:04,321 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz' 2026-02-10T11:43:04,323 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz' 2026-02-10T11:43:04,325 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz' 2026-02-10T11:43:04,326 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz' 2026-02-10T11:43:04,328 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz' 2026-02-10T11:43:04,330 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz' 2026-02-10T11:43:04,331 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz' 2026-02-10T11:43:04,333 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz' 2026-02-10T11:43:04,335 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz' 2026-02-10T11:43:04,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz' 2026-02-10T11:43:04,338 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz' 2026-02-10T11:43:04,340 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz' 2026-02-10T11:43:04,341 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz' 2026-02-10T11:43:04,343 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz' 2026-02-10T11:43:04,345 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz' 2026-02-10T11:43:04,347 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz' 2026-02-10T11:43:04,348 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz' 2026-02-10T11:43:04,350 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz' 2026-02-10T11:43:04,352 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz' 2026-02-10T11:43:04,353 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz' 2026-02-10T11:43:04,355 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz' 2026-02-10T11:43:04,356 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz' 2026-02-10T11:43:04,358 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz' 2026-02-10T11:43:04,359 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz' 2026-02-10T11:43:04,361 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz' 2026-02-10T11:43:04,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz' 2026-02-10T11:43:04,364 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz' 2026-02-10T11:43:04,366 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz' 2026-02-10T11:43:04,367 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz' 2026-02-10T11:43:04,369 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz' 2026-02-10T11:43:04,371 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz' 2026-02-10T11:43:04,372 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz' 2026-02-10T11:43:04,374 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz' 2026-02-10T11:43:04,376 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz' 2026-02-10T11:43:04,377 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz' 2026-02-10T11:43:04,379 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz' 2026-02-10T11:43:04,381 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz' 2026-02-10T11:43:04,382 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz' 2026-02-10T11:43:04,384 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz' 2026-02-10T11:43:04,386 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz' 2026-02-10T11:43:04,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz' 2026-02-10T11:43:04,389 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz' 2026-02-10T11:43:04,391 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz' 2026-02-10T11:43:04,392 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz' 2026-02-10T11:43:04,395 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz' 2026-02-10T11:43:04,397 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz' 2026-02-10T11:43:04,399 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz' 2026-02-10T11:43:04,400 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz' 2026-02-10T11:43:04,402 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz' 2026-02-10T11:43:04,404 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz' 2026-02-10T11:43:04,406 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz' 2026-02-10T11:43:04,408 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz' 2026-02-10T11:43:04,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz' 2026-02-10T11:43:04,411 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz' 2026-02-10T11:43:04,413 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz' 2026-02-10T11:43:04,415 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz' 2026-02-10T11:43:04,417 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz' 2026-02-10T11:43:04,419 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz' 2026-02-10T11:43:04,421 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz' 2026-02-10T11:43:04,422 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz' 2026-02-10T11:43:04,424 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz' 2026-02-10T11:43:04,426 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz' 2026-02-10T11:43:04,428 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz' 2026-02-10T11:43:04,430 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz' 2026-02-10T11:43:04,432 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz' 2026-02-10T11:43:04,434 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz' 2026-02-10T11:43:04,435 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz' 2026-02-10T11:43:04,437 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz' 2026-02-10T11:43:04,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz' 2026-02-10T11:43:04,440 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz' 2026-02-10T11:43:04,442 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz' 2026-02-10T11:43:04,444 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz' 2026-02-10T11:43:04,446 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz' 2026-02-10T11:43:04,447 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz' 2026-02-10T11:43:04,449 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz' 2026-02-10T11:43:04,451 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz' 2026-02-10T11:43:04,453 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz' 2026-02-10T11:43:04,455 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz' 2026-02-10T11:43:04,456 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz' 2026-02-10T11:43:04,458 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz' 2026-02-10T11:43:04,460 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz' 2026-02-10T11:43:04,462 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz' 2026-02-10T11:43:04,464 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz' 2026-02-10T11:43:04,466 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz' 2026-02-10T11:43:04,468 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz' 2026-02-10T11:43:04,470 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz' 2026-02-10T11:43:04,471 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz' 2026-02-10T11:43:04,473 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz' 2026-02-10T11:43:04,475 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz' 2026-02-10T11:43:04,477 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz' 2026-02-10T11:43:04,479 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz' 2026-02-10T11:43:04,481 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz' 2026-02-10T11:43:04,483 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz' 2026-02-10T11:43:04,485 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz' 2026-02-10T11:43:04,487 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz' 2026-02-10T11:43:04,488 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz' 2026-02-10T11:43:04,490 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz' 2026-02-10T11:43:04,492 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz' 2026-02-10T11:43:04,493 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz' 2026-02-10T11:43:04,495 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz' 2026-02-10T11:43:04,497 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz' 2026-02-10T11:43:04,499 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz' 2026-02-10T11:43:04,500 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz' 2026-02-10T11:43:04,502 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz' 2026-02-10T11:43:04,504 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz' 2026-02-10T11:43:04,506 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz' 2026-02-10T11:43:04,507 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz' 2026-02-10T11:43:04,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz' 2026-02-10T11:43:04,511 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz' 2026-02-10T11:43:04,512 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz' 2026-02-10T11:43:04,514 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz' 2026-02-10T11:43:04,516 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz' 2026-02-10T11:43:04,517 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz' 2026-02-10T11:43:04,519 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz' 2026-02-10T11:43:04,520 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz' 2026-02-10T11:43:04,522 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz' 2026-02-10T11:43:04,523 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz' 2026-02-10T11:43:04,525 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz' 2026-02-10T11:43:04,527 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz' 2026-02-10T11:43:04,528 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz' 2026-02-10T11:43:04,530 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz' 2026-02-10T11:43:04,531 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz' 2026-02-10T11:43:04,533 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz' 2026-02-10T11:43:04,535 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz' 2026-02-10T11:43:04,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz' 2026-02-10T11:43:04,538 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz' 2026-02-10T11:43:04,540 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz' 2026-02-10T11:43:04,542 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz' 2026-02-10T11:43:04,543 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz' 2026-02-10T11:43:04,545 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz' 2026-02-10T11:43:04,547 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz' 2026-02-10T11:43:04,549 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz' 2026-02-10T11:43:04,551 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz' 2026-02-10T11:43:04,552 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz' 2026-02-10T11:43:04,554 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz' 2026-02-10T11:43:04,556 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz' 2026-02-10T11:43:04,557 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz' 2026-02-10T11:43:04,558 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz' 2026-02-10T11:43:04,560 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz' 2026-02-10T11:43:04,562 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz' 2026-02-10T11:43:04,563 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz' 2026-02-10T11:43:04,565 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz' 2026-02-10T11:43:04,566 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz' 2026-02-10T11:43:04,568 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz' 2026-02-10T11:43:04,570 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz' 2026-02-10T11:43:04,571 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz' 2026-02-10T11:43:04,573 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz' 2026-02-10T11:43:04,575 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz' 2026-02-10T11:43:04,576 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz' 2026-02-10T11:43:04,578 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz' 2026-02-10T11:43:04,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz' 2026-02-10T11:43:04,583 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz' 2026-02-10T11:43:04,585 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz' 2026-02-10T11:43:04,587 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz' 2026-02-10T11:43:04,589 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz' 2026-02-10T11:43:04,590 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz' 2026-02-10T11:43:04,592 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz' 2026-02-10T11:43:04,594 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz' 2026-02-10T11:43:04,596 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz' 2026-02-10T11:43:04,597 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz' 2026-02-10T11:43:04,599 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz' 2026-02-10T11:43:04,601 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz' 2026-02-10T11:43:04,603 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz' 2026-02-10T11:43:04,605 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz' 2026-02-10T11:43:04,607 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz' 2026-02-10T11:43:04,609 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz' 2026-02-10T11:43:04,610 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz' 2026-02-10T11:43:04,612 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz' 2026-02-10T11:43:04,614 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz' 2026-02-10T11:43:04,616 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz' 2026-02-10T11:43:04,617 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz' 2026-02-10T11:43:04,619 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz' 2026-02-10T11:43:04,621 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz' 2026-02-10T11:43:04,622 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz' 2026-02-10T11:43:04,624 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz' 2026-02-10T11:43:04,626 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz' 2026-02-10T11:43:04,627 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz' 2026-02-10T11:43:04,629 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz' 2026-02-10T11:43:04,631 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz' 2026-02-10T11:43:04,633 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz' 2026-02-10T11:43:04,635 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz' 2026-02-10T11:43:04,636 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz' 2026-02-10T11:43:04,638 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz' 2026-02-10T11:43:04,640 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz' 2026-02-10T11:43:04,642 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz' 2026-02-10T11:43:04,644 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz' 2026-02-10T11:43:04,646 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz' 2026-02-10T11:43:04,647 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz' 2026-02-10T11:43:04,649 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz' 2026-02-10T11:43:04,651 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz' 2026-02-10T11:43:04,653 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz' 2026-02-10T11:43:04,655 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz' 2026-02-10T11:43:04,656 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz' 2026-02-10T11:43:04,658 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz' 2026-02-10T11:43:04,660 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz' 2026-02-10T11:43:04,662 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz' 2026-02-10T11:43:04,664 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz' 2026-02-10T11:43:04,665 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz' 2026-02-10T11:43:04,667 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz' 2026-02-10T11:43:04,669 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz' 2026-02-10T11:43:04,671 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz' 2026-02-10T11:43:04,673 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz' 2026-02-10T11:43:04,675 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz' 2026-02-10T11:43:04,677 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz' 2026-02-10T11:43:04,679 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz' 2026-02-10T11:43:04,681 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz' 2026-02-10T11:43:04,683 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz' 2026-02-10T11:43:04,684 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz' 2026-02-10T11:43:04,686 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz' 2026-02-10T11:43:04,687 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz' 2026-02-10T11:43:04,689 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz' 2026-02-10T11:43:04,690 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz' 2026-02-10T11:43:04,692 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz' 2026-02-10T11:43:04,693 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz' 2026-02-10T11:43:04,695 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz' 2026-02-10T11:43:04,696 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz' 2026-02-10T11:43:04,698 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz' 2026-02-10T11:43:04,699 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz' 2026-02-10T11:43:04,701 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz' 2026-02-10T11:43:04,702 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz' 2026-02-10T11:43:04,704 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz' 2026-02-10T11:43:04,706 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz' 2026-02-10T11:43:04,707 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz' 2026-02-10T11:43:04,710 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz' 2026-02-10T11:43:04,711 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz' 2026-02-10T11:43:04,713 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz' 2026-02-10T11:43:04,715 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz' 2026-02-10T11:43:04,716 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz' 2026-02-10T11:43:04,718 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz' 2026-02-10T11:43:04,720 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz' 2026-02-10T11:43:04,721 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz' 2026-02-10T11:43:04,723 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz' 2026-02-10T11:43:04,725 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz' 2026-02-10T11:43:04,726 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz' 2026-02-10T11:43:04,728 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz' 2026-02-10T11:43:04,729 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz' 2026-02-10T11:43:04,731 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz' 2026-02-10T11:43:04,732 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz' 2026-02-10T11:43:04,734 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz' 2026-02-10T11:43:04,736 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz' 2026-02-10T11:43:04,737 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz' 2026-02-10T11:43:04,739 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz' 2026-02-10T11:43:04,741 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz' 2026-02-10T11:43:04,743 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz' 2026-02-10T11:43:04,744 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz' 2026-02-10T11:43:04,746 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz' 2026-02-10T11:43:04,748 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz' 2026-02-10T11:43:04,749 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz' 2026-02-10T11:43:04,751 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz' 2026-02-10T11:43:04,753 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz' 2026-02-10T11:43:04,754 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz' 2026-02-10T11:43:04,756 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz' 2026-02-10T11:43:04,757 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz' 2026-02-10T11:43:04,759 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz' 2026-02-10T11:43:04,760 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz' 2026-02-10T11:43:04,762 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz' 2026-02-10T11:43:04,763 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz' 2026-02-10T11:43:04,765 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz' 2026-02-10T11:43:04,767 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz' 2026-02-10T11:43:04,768 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz' 2026-02-10T11:43:04,770 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz' 2026-02-10T11:43:04,771 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz' 2026-02-10T11:43:04,773 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz' 2026-02-10T11:43:04,775 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz' 2026-02-10T11:43:04,777 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz' 2026-02-10T11:43:04,778 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz' 2026-02-10T11:43:04,780 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz' 2026-02-10T11:43:04,781 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz' 2026-02-10T11:43:04,783 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz' 2026-02-10T11:43:04,784 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz' 2026-02-10T11:43:04,786 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz' 2026-02-10T11:43:04,788 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz' 2026-02-10T11:43:04,789 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz' 2026-02-10T11:43:04,791 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz' 2026-02-10T11:43:04,793 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz' 2026-02-10T11:43:04,796 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz' 2026-02-10T11:43:04,798 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz' 2026-02-10T11:43:04,800 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz' 2026-02-10T11:43:04,801 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz' 2026-02-10T11:43:04,803 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz' 2026-02-10T11:43:04,805 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz' 2026-02-10T11:43:04,807 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz' 2026-02-10T11:43:04,808 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz' 2026-02-10T11:43:04,810 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz' 2026-02-10T11:43:04,812 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz' 2026-02-10T11:43:04,813 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz' 2026-02-10T11:43:04,815 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz' 2026-02-10T11:43:04,817 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz' 2026-02-10T11:43:04,819 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz' 2026-02-10T11:43:04,821 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz' 2026-02-10T11:43:04,822 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz' 2026-02-10T11:43:04,824 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz' 2026-02-10T11:43:04,826 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz' 2026-02-10T11:43:04,828 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz' 2026-02-10T11:43:04,829 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz' 2026-02-10T11:43:04,831 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz' 2026-02-10T11:43:04,834 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz' 2026-02-10T11:43:04,836 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz' 2026-02-10T11:43:04,838 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz' 2026-02-10T11:43:04,839 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz' 2026-02-10T11:43:04,841 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz' 2026-02-10T11:43:04,842 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz' 2026-02-10T11:43:04,844 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz' 2026-02-10T11:43:04,846 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz' 2026-02-10T11:43:04,848 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz' 2026-02-10T11:43:04,849 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz' 2026-02-10T11:43:04,852 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz' 2026-02-10T11:43:04,853 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz' 2026-02-10T11:43:04,855 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz' 2026-02-10T11:43:04,857 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz' 2026-02-10T11:43:04,859 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz' 2026-02-10T11:43:04,861 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz' 2026-02-10T11:43:04,863 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz' 2026-02-10T11:43:04,865 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz' 2026-02-10T11:43:04,867 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz' 2026-02-10T11:43:04,869 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz' 2026-02-10T11:43:04,871 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz' 2026-02-10T11:43:04,873 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz' 2026-02-10T11:43:04,875 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz' 2026-02-10T11:43:04,877 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz' 2026-02-10T11:43:04,879 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz' 2026-02-10T11:43:04,881 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz' 2026-02-10T11:43:04,883 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz' 2026-02-10T11:43:04,885 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz' 2026-02-10T11:43:04,887 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz' 2026-02-10T11:43:04,889 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz' 2026-02-10T11:43:04,891 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz' 2026-02-10T11:43:04,894 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz' 2026-02-10T11:43:04,896 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz' 2026-02-10T11:43:04,898 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz' 2026-02-10T11:43:04,899 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz' 2026-02-10T11:43:04,901 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz' 2026-02-10T11:43:04,903 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz' 2026-02-10T11:43:04,904 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz' 2026-02-10T11:43:04,906 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz' 2026-02-10T11:43:04,907 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz' 2026-02-10T11:43:04,909 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz' 2026-02-10T11:43:04,911 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz' 2026-02-10T11:43:04,913 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz' 2026-02-10T11:43:04,915 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz' 2026-02-10T11:43:04,916 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz' 2026-02-10T11:43:04,918 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz' 2026-02-10T11:43:04,920 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz' 2026-02-10T11:43:04,922 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz' 2026-02-10T11:43:04,923 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz' 2026-02-10T11:43:04,926 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz' 2026-02-10T11:43:04,927 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz' 2026-02-10T11:43:04,929 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz' 2026-02-10T11:43:04,930 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz' 2026-02-10T11:43:04,932 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz' 2026-02-10T11:43:04,933 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz' 2026-02-10T11:43:04,935 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz' 2026-02-10T11:43:04,936 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz' 2026-02-10T11:43:04,938 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz' 2026-02-10T11:43:04,939 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz' 2026-02-10T11:43:04,941 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz' 2026-02-10T11:43:04,942 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz' 2026-02-10T11:43:04,944 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz' 2026-02-10T11:43:04,945 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz' 2026-02-10T11:43:04,947 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz' 2026-02-10T11:43:04,948 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz' 2026-02-10T11:43:04,950 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz' 2026-02-10T11:43:04,952 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz' 2026-02-10T11:43:04,953 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz' 2026-02-10T11:43:04,955 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz' 2026-02-10T11:43:04,956 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz' 2026-02-10T11:43:04,958 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz' 2026-02-10T11:43:04,959 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz' 2026-02-10T11:43:04,961 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz' 2026-02-10T11:43:04,963 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz' 2026-02-10T11:43:04,964 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz' 2026-02-10T11:43:04,966 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz' 2026-02-10T11:43:04,967 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz' 2026-02-10T11:43:04,969 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz' 2026-02-10T11:43:04,970 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz' 2026-02-10T11:43:04,972 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz' 2026-02-10T11:43:04,974 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz' 2026-02-10T11:43:04,976 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz' 2026-02-10T11:43:04,977 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz' 2026-02-10T11:43:04,979 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz' 2026-02-10T11:43:04,980 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz' 2026-02-10T11:43:04,982 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz' 2026-02-10T11:43:04,983 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz' 2026-02-10T11:43:04,985 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz' 2026-02-10T11:43:04,987 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz' 2026-02-10T11:43:04,988 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz' 2026-02-10T11:43:04,990 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz' 2026-02-10T11:43:04,992 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz' 2026-02-10T11:43:04,993 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz' 2026-02-10T11:43:04,995 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz' 2026-02-10T11:43:04,997 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz' 2026-02-10T11:43:04,998 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz' 2026-02-10T11:43:05,000 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz' 2026-02-10T11:43:05,001 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz' 2026-02-10T11:43:05,003 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz' 2026-02-10T11:43:05,004 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz' 2026-02-10T11:43:05,007 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz' 2026-02-10T11:43:05,008 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz' 2026-02-10T11:43:05,010 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts/struc.xyz' 2026-02-10T11:43:05,011 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz' 2026-02-10T11:43:05,013 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts/struc.xyz' 2026-02-10T11:43:05,014 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz' 2026-02-10T11:43:05,016 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts/struc.xyz' 2026-02-10T11:43:05,018 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz' 2026-02-10T11:43:05,019 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts/struc.xyz' 2026-02-10T11:43:05,021 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz' 2026-02-10T11:43:05,023 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts/struc.xyz' 2026-02-10T11:43:05,024 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz' 2026-02-10T11:43:05,026 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz' 2026-02-10T11:43:05,028 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts/struc.xyz' 2026-02-10T11:43:05,029 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz' 2026-02-10T11:43:05,031 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts/struc.xyz' 2026-02-10T11:43:05,032 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz' 2026-02-10T11:43:05,034 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts/struc.xyz' 2026-02-10T11:43:05,035 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz' 2026-02-10T11:43:05,037 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts/struc.xyz' 2026-02-10T11:43:05,039 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz' 2026-02-10T11:43:05,040 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts/struc.xyz' 2026-02-10T11:43:05,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz' 2026-02-10T11:43:05,043 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz' 2026-02-10T11:43:05,045 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts/struc.xyz' 2026-02-10T11:43:05,047 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz' 2026-02-10T11:43:05,048 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts/struc.xyz' 2026-02-10T11:43:05,050 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz' 2026-02-10T11:43:05,052 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts/struc.xyz' 2026-02-10T11:43:05,055 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz' 2026-02-10T11:43:05,056 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz' 2026-02-10T11:43:05,058 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz' 2026-02-10T11:43:05,060 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz' 2026-02-10T11:43:05,061 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz' 2026-02-10T11:43:05,063 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz' 2026-02-10T11:43:05,065 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz' 2026-02-10T11:43:05,066 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz' 2026-02-10T11:43:05,068 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz' 2026-02-10T11:43:05,070 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz' 2026-02-10T11:43:05,072 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz' 2026-02-10T11:43:05,073 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz' 2026-02-10T11:43:05,075 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz' 2026-02-10T11:43:05,076 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz' 2026-02-10T11:43:05,078 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz' 2026-02-10T11:43:05,080 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz' 2026-02-10T11:43:05,081 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz' 2026-02-10T11:43:05,083 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz' 2026-02-10T11:43:05,084 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz' 2026-02-10T11:43:05,086 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz' 2026-02-10T11:43:05,088 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz' 2026-02-10T11:43:05,089 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz' 2026-02-10T11:43:05,091 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz' 2026-02-10T11:43:05,092 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz' 2026-02-10T11:43:05,094 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz' 2026-02-10T11:43:05,096 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz' 2026-02-10T11:43:05,097 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz' 2026-02-10T11:43:05,099 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz' 2026-02-10T11:43:05,100 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz' 2026-02-10T11:43:05,102 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz' 2026-02-10T11:43:05,104 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz' 2026-02-10T11:43:05,105 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz' 2026-02-10T11:43:05,107 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz' 2026-02-10T11:43:05,109 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz' 2026-02-10T11:43:05,110 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz' 2026-02-10T11:43:05,112 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz' 2026-02-10T11:43:05,114 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz' 2026-02-10T11:43:05,115 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz' 2026-02-10T11:43:05,117 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz' 2026-02-10T11:43:05,119 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz' 2026-02-10T11:43:05,120 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz' 2026-02-10T11:43:05,123 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz' 2026-02-10T11:43:05,125 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz' 2026-02-10T11:43:05,126 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz' 2026-02-10T11:43:05,128 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz' 2026-02-10T11:43:05,129 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz' 2026-02-10T11:43:05,131 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz' 2026-02-10T11:43:05,133 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz' 2026-02-10T11:43:05,134 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz' 2026-02-10T11:43:05,136 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz' 2026-02-10T11:43:05,138 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz' 2026-02-10T11:43:05,139 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz' 2026-02-10T11:43:05,141 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz' 2026-02-10T11:43:05,143 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz' 2026-02-10T11:43:05,145 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz' 2026-02-10T11:43:05,147 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz' 2026-02-10T11:43:05,149 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz' 2026-02-10T11:43:05,151 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz' 2026-02-10T11:43:05,153 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz' 2026-02-10T11:43:05,155 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz' 2026-02-10T11:43:05,156 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz' 2026-02-10T11:43:05,158 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz' 2026-02-10T11:43:05,159 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz' 2026-02-10T11:43:05,161 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz' 2026-02-10T11:43:05,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz' 2026-02-10T11:43:05,164 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz' 2026-02-10T11:43:05,167 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz' 2026-02-10T11:43:05,169 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz' 2026-02-10T11:43:05,170 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz' 2026-02-10T11:43:05,172 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz' 2026-02-10T11:43:05,173 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz' 2026-02-10T11:43:05,175 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz' 2026-02-10T11:43:05,176 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz' 2026-02-10T11:43:05,178 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz' 2026-02-10T11:43:05,179 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz' 2026-02-10T11:43:05,181 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz' 2026-02-10T11:43:05,183 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz' 2026-02-10T11:43:05,184 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz' 2026-02-10T11:43:05,186 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz' 2026-02-10T11:43:05,187 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz' 2026-02-10T11:43:05,189 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz' 2026-02-10T11:43:05,190 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz' 2026-02-10T11:43:05,192 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz' 2026-02-10T11:43:05,193 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz' 2026-02-10T11:43:05,195 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz' 2026-02-10T11:43:05,196 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz' 2026-02-10T11:43:05,198 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz' 2026-02-10T11:43:05,200 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz' 2026-02-10T11:43:05,201 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz' 2026-02-10T11:43:05,203 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz' 2026-02-10T11:43:05,205 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz' 2026-02-10T11:43:05,206 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz' 2026-02-10T11:43:05,208 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz' 2026-02-10T11:43:05,209 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz' 2026-02-10T11:43:05,211 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz' 2026-02-10T11:43:05,213 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz' 2026-02-10T11:43:05,214 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz' 2026-02-10T11:43:05,216 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz' 2026-02-10T11:43:05,218 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz' 2026-02-10T11:43:05,220 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz' 2026-02-10T11:43:05,222 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz' 2026-02-10T11:43:05,223 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz' 2026-02-10T11:43:05,225 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz' 2026-02-10T11:43:05,227 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz' 2026-02-10T11:43:05,229 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz' 2026-02-10T11:43:05,230 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz' 2026-02-10T11:43:05,232 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz' 2026-02-10T11:43:05,234 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz' 2026-02-10T11:43:05,235 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz' 2026-02-10T11:43:05,237 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz' 2026-02-10T11:43:05,238 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz' 2026-02-10T11:43:05,240 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz' 2026-02-10T11:43:05,241 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz' 2026-02-10T11:43:05,243 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz' 2026-02-10T11:43:05,244 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz' 2026-02-10T11:43:05,246 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz' 2026-02-10T11:43:05,248 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz' 2026-02-10T11:43:05,249 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz' 2026-02-10T11:43:05,251 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz' 2026-02-10T11:43:05,252 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz' 2026-02-10T11:43:05,254 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz' 2026-02-10T11:43:05,255 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz' 2026-02-10T11:43:05,257 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz' 2026-02-10T11:43:05,258 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz' 2026-02-10T11:43:05,260 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz' 2026-02-10T11:43:05,262 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz' 2026-02-10T11:43:05,263 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz' 2026-02-10T11:43:05,265 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz' 2026-02-10T11:43:05,267 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz' 2026-02-10T11:43:05,268 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz' 2026-02-10T11:43:05,270 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz' 2026-02-10T11:43:05,272 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz' 2026-02-10T11:43:05,273 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz' 2026-02-10T11:43:05,275 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz' 2026-02-10T11:43:05,277 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz' 2026-02-10T11:43:05,278 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz' 2026-02-10T11:43:05,280 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz' 2026-02-10T11:43:05,281 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz' 2026-02-10T11:43:05,283 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz' 2026-02-10T11:43:05,285 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz' 2026-02-10T11:43:05,287 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz' 2026-02-10T11:43:05,288 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz' 2026-02-10T11:43:05,290 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz' 2026-02-10T11:43:05,292 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz' 2026-02-10T11:43:05,293 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz' 2026-02-10T11:43:05,295 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz' 2026-02-10T11:43:05,297 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz' 2026-02-10T11:43:05,298 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz' 2026-02-10T11:43:05,300 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz' 2026-02-10T11:43:05,301 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz' 2026-02-10T11:43:05,303 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz' 2026-02-10T11:43:05,305 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz' 2026-02-10T11:43:05,307 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz' 2026-02-10T11:43:05,308 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz' 2026-02-10T11:43:05,311 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz' 2026-02-10T11:43:05,312 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz' 2026-02-10T11:43:05,314 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz' 2026-02-10T11:43:05,315 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz' 2026-02-10T11:43:05,317 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz' 2026-02-10T11:43:05,318 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz' 2026-02-10T11:43:05,320 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz' 2026-02-10T11:43:05,321 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz' 2026-02-10T11:43:05,323 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz' 2026-02-10T11:43:05,324 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz' 2026-02-10T11:43:05,326 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz' 2026-02-10T11:43:05,328 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz' 2026-02-10T11:43:05,329 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz' 2026-02-10T11:43:05,331 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz' 2026-02-10T11:43:05,333 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz' 2026-02-10T11:43:05,334 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz' 2026-02-10T11:43:05,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz' 2026-02-10T11:43:05,337 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz' 2026-02-10T11:43:05,339 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz' 2026-02-10T11:43:05,341 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz' 2026-02-10T11:43:05,342 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz' 2026-02-10T11:43:05,344 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz' 2026-02-10T11:43:05,346 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz' 2026-02-10T11:43:05,347 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz' 2026-02-10T11:43:05,349 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz' 2026-02-10T11:43:05,351 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz' 2026-02-10T11:43:05,352 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz' 2026-02-10T11:43:05,354 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz' 2026-02-10T11:43:05,356 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz' 2026-02-10T11:43:05,358 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz' 2026-02-10T11:43:05,359 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz' 2026-02-10T11:43:05,361 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz' 2026-02-10T11:43:05,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz' 2026-02-10T11:43:05,365 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz' 2026-02-10T11:43:05,366 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz' 2026-02-10T11:43:05,368 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz' 2026-02-10T11:43:05,370 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz' 2026-02-10T11:43:05,371 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz' 2026-02-10T11:43:05,373 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz' 2026-02-10T11:43:05,375 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz' 2026-02-10T11:43:05,377 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz' 2026-02-10T11:43:05,378 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz' 2026-02-10T11:43:05,380 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz' 2026-02-10T11:43:05,382 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz' 2026-02-10T11:43:05,383 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz' 2026-02-10T11:43:05,385 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz' 2026-02-10T11:43:05,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz' 2026-02-10T11:43:05,388 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz' 2026-02-10T11:43:05,390 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz' 2026-02-10T11:43:05,392 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz' 2026-02-10T11:43:05,393 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz' 2026-02-10T11:43:05,395 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz' 2026-02-10T11:43:05,397 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz' 2026-02-10T11:43:05,399 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz' 2026-02-10T11:43:05,401 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz' 2026-02-10T11:43:05,403 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz' 2026-02-10T11:43:05,405 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz' 2026-02-10T11:43:05,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz' 2026-02-10T11:43:05,411 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz' 2026-02-10T11:43:05,413 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz' 2026-02-10T11:43:05,416 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz' 2026-02-10T11:43:05,418 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz' 2026-02-10T11:43:05,420 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz' 2026-02-10T11:43:05,421 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz' 2026-02-10T11:43:05,423 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz' 2026-02-10T11:43:05,425 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz' 2026-02-10T11:43:05,426 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz' 2026-02-10T11:43:05,428 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz' 2026-02-10T11:43:05,429 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz' 2026-02-10T11:43:05,431 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz' 2026-02-10T11:43:05,433 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz' 2026-02-10T11:43:05,434 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz' 2026-02-10T11:43:05,436 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz' 2026-02-10T11:43:05,438 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz' 2026-02-10T11:43:05,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz' 2026-02-10T11:43:05,441 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz' 2026-02-10T11:43:05,442 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz' 2026-02-10T11:43:05,444 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz' 2026-02-10T11:43:05,446 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz' 2026-02-10T11:43:05,447 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz' 2026-02-10T11:43:05,449 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz' 2026-02-10T11:43:05,450 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz' 2026-02-10T11:43:05,452 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz' 2026-02-10T11:43:05,454 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz' 2026-02-10T11:43:05,456 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz' 2026-02-10T11:43:05,457 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz' 2026-02-10T11:43:05,459 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz' 2026-02-10T11:43:05,461 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz' 2026-02-10T11:43:05,462 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz' 2026-02-10T11:43:05,464 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz' 2026-02-10T11:43:05,466 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz' 2026-02-10T11:43:05,467 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz' 2026-02-10T11:43:05,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz' 2026-02-10T11:43:05,471 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz' 2026-02-10T11:43:05,473 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz' 2026-02-10T11:43:05,474 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz' 2026-02-10T11:43:05,476 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz' 2026-02-10T11:43:05,478 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz' 2026-02-10T11:43:05,479 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz' 2026-02-10T11:43:05,481 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz' 2026-02-10T11:43:05,482 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz' 2026-02-10T11:43:05,484 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz' 2026-02-10T11:43:05,485 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz' 2026-02-10T11:43:05,487 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz' 2026-02-10T11:43:05,489 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz' 2026-02-10T11:43:05,490 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz' 2026-02-10T11:43:05,492 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz' 2026-02-10T11:43:05,493 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz' 2026-02-10T11:43:05,495 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz' 2026-02-10T11:43:05,496 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz' 2026-02-10T11:43:05,498 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz' 2026-02-10T11:43:05,500 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz' 2026-02-10T11:43:05,501 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz' 2026-02-10T11:43:05,503 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz' 2026-02-10T11:43:05,505 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz' 2026-02-10T11:43:05,506 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz' 2026-02-10T11:43:05,508 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz' 2026-02-10T11:43:05,510 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz' 2026-02-10T11:43:05,511 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz' 2026-02-10T11:43:05,513 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz' 2026-02-10T11:43:05,515 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz' 2026-02-10T11:43:05,517 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz' 2026-02-10T11:43:05,518 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz' 2026-02-10T11:43:05,520 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz' 2026-02-10T11:43:05,522 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz' 2026-02-10T11:43:05,523 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz' 2026-02-10T11:43:05,525 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz' 2026-02-10T11:43:05,527 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz' 2026-02-10T11:43:05,528 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz' 2026-02-10T11:43:05,530 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz' 2026-02-10T11:43:05,532 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz' 2026-02-10T11:43:05,533 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz' 2026-02-10T11:43:05,535 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz' 2026-02-10T11:43:05,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz' 2026-02-10T11:43:05,539 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz' 2026-02-10T11:43:05,541 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz' 2026-02-10T11:43:05,542 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz' 2026-02-10T11:43:05,544 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz' 2026-02-10T11:43:05,546 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz' 2026-02-10T11:43:05,547 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz' 2026-02-10T11:43:05,549 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz' 2026-02-10T11:43:05,551 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz' 2026-02-10T11:43:05,552 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz' 2026-02-10T11:43:05,554 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz' 2026-02-10T11:43:05,556 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz' 2026-02-10T11:43:05,558 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz' 2026-02-10T11:43:05,559 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz' 2026-02-10T11:43:05,561 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz' 2026-02-10T11:43:05,563 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz' 2026-02-10T11:43:05,564 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz' 2026-02-10T11:43:05,566 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz' 2026-02-10T11:43:05,567 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz' 2026-02-10T11:43:05,569 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz' 2026-02-10T11:43:05,570 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz' 2026-02-10T11:43:05,572 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz' 2026-02-10T11:43:05,574 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz' 2026-02-10T11:43:05,579 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz' 2026-02-10T11:43:05,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz' 2026-02-10T11:43:05,583 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz' 2026-02-10T11:43:05,585 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz' 2026-02-10T11:43:05,587 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz' 2026-02-10T11:43:05,591 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz' 2026-02-10T11:43:05,594 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz' 2026-02-10T11:43:05,596 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz' 2026-02-10T11:43:05,598 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz' 2026-02-10T11:43:05,600 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz' 2026-02-10T11:43:05,602 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz' 2026-02-10T11:43:05,604 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz' 2026-02-10T11:43:05,605 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz' 2026-02-10T11:43:05,607 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz' 2026-02-10T11:43:05,609 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz' 2026-02-10T11:43:05,612 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz' 2026-02-10T11:43:05,613 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz' 2026-02-10T11:43:05,615 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz' 2026-02-10T11:43:05,617 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz' 2026-02-10T11:43:05,619 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz' 2026-02-10T11:43:05,621 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz' 2026-02-10T11:43:05,623 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz' 2026-02-10T11:43:05,624 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz' 2026-02-10T11:43:05,626 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz' 2026-02-10T11:43:05,628 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz' 2026-02-10T11:43:05,630 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz' 2026-02-10T11:43:05,632 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz' 2026-02-10T11:43:05,634 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz' 2026-02-10T11:43:05,636 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz' 2026-02-10T11:43:05,638 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz' 2026-02-10T11:43:05,639 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz' 2026-02-10T11:43:05,641 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz' 2026-02-10T11:43:05,643 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz' 2026-02-10T11:43:05,644 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz' 2026-02-10T11:43:05,646 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz' 2026-02-10T11:43:05,648 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz' 2026-02-10T11:43:05,650 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz' 2026-02-10T11:43:05,651 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz' 2026-02-10T11:43:05,653 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz' 2026-02-10T11:43:05,655 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz' 2026-02-10T11:43:05,657 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz' 2026-02-10T11:43:05,658 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz' 2026-02-10T11:43:05,660 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz' 2026-02-10T11:43:05,662 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz' 2026-02-10T11:43:05,664 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz' 2026-02-10T11:43:05,666 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz' 2026-02-10T11:43:05,669 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz' 2026-02-10T11:43:05,670 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz' 2026-02-10T11:43:05,672 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz' 2026-02-10T11:43:05,674 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz' 2026-02-10T11:43:05,675 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz' 2026-02-10T11:43:05,677 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz' 2026-02-10T11:43:05,679 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz' 2026-02-10T11:43:05,680 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz' 2026-02-10T11:43:05,682 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz' 2026-02-10T11:43:05,684 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz' 2026-02-10T11:43:05,685 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz' 2026-02-10T11:43:05,687 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz' 2026-02-10T11:43:05,689 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz' 2026-02-10T11:43:05,691 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz' 2026-02-10T11:43:05,692 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz' 2026-02-10T11:43:05,694 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz' 2026-02-10T11:43:05,696 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz' 2026-02-10T11:43:05,697 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz' 2026-02-10T11:43:05,699 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz' 2026-02-10T11:43:05,701 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz' 2026-02-10T11:43:05,703 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz' 2026-02-10T11:43:05,705 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz' 2026-02-10T11:43:05,707 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz' 2026-02-10T11:43:05,709 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz' 2026-02-10T11:43:05,711 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz' 2026-02-10T11:43:05,713 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz' 2026-02-10T11:43:05,714 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz' 2026-02-10T11:43:05,716 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz' 2026-02-10T11:43:05,718 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz' 2026-02-10T11:43:05,720 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz' 2026-02-10T11:43:05,722 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz' 2026-02-10T11:43:05,723 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz' 2026-02-10T11:43:05,725 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz' 2026-02-10T11:43:05,727 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz' 2026-02-10T11:43:05,728 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz' 2026-02-10T11:43:05,730 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz' 2026-02-10T11:43:05,732 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz' 2026-02-10T11:43:05,733 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz' 2026-02-10T11:43:05,735 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz' 2026-02-10T11:43:05,737 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz' 2026-02-10T11:43:05,739 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz' 2026-02-10T11:43:05,740 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz' 2026-02-10T11:43:05,742 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz' 2026-02-10T11:43:05,744 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz' 2026-02-10T11:43:05,745 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz' 2026-02-10T11:43:05,747 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz' 2026-02-10T11:43:05,749 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz' 2026-02-10T11:43:05,750 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz' 2026-02-10T11:43:05,752 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz' 2026-02-10T11:43:05,753 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz' 2026-02-10T11:43:05,755 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz' 2026-02-10T11:43:05,757 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz' 2026-02-10T11:43:05,759 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz' 2026-02-10T11:43:05,761 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz' 2026-02-10T11:43:05,762 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz' 2026-02-10T11:43:05,764 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz' 2026-02-10T11:43:05,766 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz' 2026-02-10T11:43:05,767 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz' 2026-02-10T11:43:05,769 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz' 2026-02-10T11:43:05,771 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz' 2026-02-10T11:43:05,772 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz' 2026-02-10T11:43:05,774 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz' 2026-02-10T11:43:05,776 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz' 2026-02-10T11:43:05,778 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz' 2026-02-10T11:43:05,779 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz' 2026-02-10T11:43:05,781 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz' 2026-02-10T11:43:05,783 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz' 2026-02-10T11:43:05,785 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz' 2026-02-10T11:43:05,786 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz' 2026-02-10T11:43:05,788 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz' 2026-02-10T11:43:05,790 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz' 2026-02-10T11:43:05,792 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz' 2026-02-10T11:43:05,794 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz' 2026-02-10T11:43:05,796 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz' 2026-02-10T11:43:05,797 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz' 2026-02-10T11:43:05,799 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz' 2026-02-10T11:43:05,800 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz' 2026-02-10T11:43:05,802 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz' 2026-02-10T11:43:05,803 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz' 2026-02-10T11:43:05,805 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz' 2026-02-10T11:43:05,806 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz' 2026-02-10T11:43:05,808 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz' 2026-02-10T11:43:05,810 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz' 2026-02-10T11:43:05,811 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz' 2026-02-10T11:43:05,813 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz' 2026-02-10T11:43:05,814 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz' 2026-02-10T11:43:05,816 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz' 2026-02-10T11:43:05,817 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz' 2026-02-10T11:43:05,819 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz' 2026-02-10T11:43:05,820 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz' 2026-02-10T11:43:05,822 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz' 2026-02-10T11:43:05,823 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz' 2026-02-10T11:43:05,825 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz' 2026-02-10T11:43:05,827 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz' 2026-02-10T11:43:05,828 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz' 2026-02-10T11:43:05,832 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz' 2026-02-10T11:43:05,834 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz' 2026-02-10T11:43:05,835 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz' 2026-02-10T11:43:05,837 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz' 2026-02-10T11:43:05,838 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz' 2026-02-10T11:43:05,840 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz' 2026-02-10T11:43:05,841 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz' 2026-02-10T11:43:05,843 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz' 2026-02-10T11:43:05,844 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz' 2026-02-10T11:43:05,846 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz' 2026-02-10T11:43:05,848 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz' 2026-02-10T11:43:05,849 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz' 2026-02-10T11:43:05,851 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz' 2026-02-10T11:43:05,852 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz' 2026-02-10T11:43:05,854 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz' 2026-02-10T11:43:05,855 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz' 2026-02-10T11:43:05,857 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz' 2026-02-10T11:43:05,859 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz' 2026-02-10T11:43:05,860 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz' 2026-02-10T11:43:05,862 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz' 2026-02-10T11:43:05,863 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz' 2026-02-10T11:43:05,865 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz' 2026-02-10T11:43:05,866 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz' 2026-02-10T11:43:05,868 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz' 2026-02-10T11:43:05,870 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz' 2026-02-10T11:43:05,871 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz' 2026-02-10T11:43:05,873 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz' 2026-02-10T11:43:05,874 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz' 2026-02-10T11:43:05,876 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz' 2026-02-10T11:43:05,878 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz' 2026-02-10T11:43:05,879 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz' 2026-02-10T11:43:05,881 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz' 2026-02-10T11:43:05,882 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz' 2026-02-10T11:43:05,884 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz' 2026-02-10T11:43:05,886 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz' 2026-02-10T11:43:05,887 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz' 2026-02-10T11:43:05,889 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz' 2026-02-10T11:43:05,891 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz' 2026-02-10T11:43:05,892 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz' 2026-02-10T11:43:05,894 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz' 2026-02-10T11:43:05,895 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz' 2026-02-10T11:43:05,897 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz' 2026-02-10T11:43:05,898 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz' 2026-02-10T11:43:05,900 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz' 2026-02-10T11:43:05,901 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz' 2026-02-10T11:43:05,903 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz' 2026-02-10T11:43:05,904 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz' 2026-02-10T11:43:05,906 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz' 2026-02-10T11:43:05,907 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz' 2026-02-10T11:43:05,908 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz' 2026-02-10T11:43:05,910 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz' 2026-02-10T11:43:05,911 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz' 2026-02-10T11:43:05,913 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz' 2026-02-10T11:43:05,914 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz' 2026-02-10T11:43:05,916 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz' 2026-02-10T11:43:05,917 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz' 2026-02-10T11:43:05,919 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz' 2026-02-10T11:43:05,920 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz' 2026-02-10T11:43:05,922 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz' 2026-02-10T11:43:05,923 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz' 2026-02-10T11:43:05,925 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz' 2026-02-10T11:43:05,926 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz' 2026-02-10T11:43:05,928 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz' 2026-02-10T11:43:05,929 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz' 2026-02-10T11:43:05,931 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz' 2026-02-10T11:43:05,932 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz' 2026-02-10T11:43:05,934 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz' 2026-02-10T11:43:05,936 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz' 2026-02-10T11:43:05,937 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz' 2026-02-10T11:43:05,939 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz' 2026-02-10T11:43:05,940 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz' 2026-02-10T11:43:05,942 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz' 2026-02-10T11:43:05,944 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz' 2026-02-10T11:43:05,945 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz' 2026-02-10T11:43:05,947 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz' 2026-02-10T11:43:05,949 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz' 2026-02-10T11:43:05,950 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz' 2026-02-10T11:43:05,952 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz' 2026-02-10T11:43:05,953 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz' 2026-02-10T11:43:05,955 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz' 2026-02-10T11:43:05,957 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz' 2026-02-10T11:43:05,959 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz' 2026-02-10T11:43:05,960 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz' 2026-02-10T11:43:05,962 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz' 2026-02-10T11:43:05,963 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz' 2026-02-10T11:43:05,965 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz' 2026-02-10T11:43:05,966 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz' 2026-02-10T11:43:05,968 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz' 2026-02-10T11:43:05,969 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz' 2026-02-10T11:43:05,970 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz' 2026-02-10T11:43:05,972 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz' 2026-02-10T11:43:05,973 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz' 2026-02-10T11:43:05,975 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz' 2026-02-10T11:43:05,976 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz' 2026-02-10T11:43:05,978 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz' 2026-02-10T11:43:05,979 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz' 2026-02-10T11:43:05,981 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz' 2026-02-10T11:43:05,982 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz' 2026-02-10T11:43:05,984 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz' 2026-02-10T11:43:05,985 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz' 2026-02-10T11:43:05,987 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz' 2026-02-10T11:43:05,988 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz' 2026-02-10T11:43:05,990 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz' 2026-02-10T11:43:05,991 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz' 2026-02-10T11:43:05,993 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz' 2026-02-10T11:43:05,995 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz' 2026-02-10T11:43:05,996 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz' 2026-02-10T11:43:05,998 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz' 2026-02-10T11:43:05,999 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz' 2026-02-10T11:43:06,001 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz' 2026-02-10T11:43:06,003 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz' 2026-02-10T11:43:06,004 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz' 2026-02-10T11:43:06,006 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25/struc.xyz' 2026-02-10T11:43:06,008 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5/struc.xyz' 2026-02-10T11:43:06,009 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75/struc.xyz' 2026-02-10T11:43:06,011 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz' 2026-02-10T11:43:06,012 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz' 2026-02-10T11:43:06,014 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz' 2026-02-10T11:43:06,015 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz' 2026-02-10T11:43:06,017 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz' 2026-02-10T11:43:06,018 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz' 2026-02-10T11:43:06,020 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz' 2026-02-10T11:43:06,022 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz' 2026-02-10T11:43:06,023 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz' 2026-02-10T11:43:06,025 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz' 2026-02-10T11:43:06,027 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz' 2026-02-10T11:43:06,029 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz' 2026-02-10T11:43:06,030 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz' 2026-02-10T11:43:06,032 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz' 2026-02-10T11:43:06,034 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz' 2026-02-10T11:43:06,036 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz' 2026-02-10T11:43:06,038 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz' 2026-02-10T11:43:06,039 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz' 2026-02-10T11:43:06,040 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz' 2026-02-10T11:43:06,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz' 2026-02-10T11:43:06,043 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz' 2026-02-10T11:43:06,045 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz' 2026-02-10T11:43:06,046 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz' 2026-02-10T11:43:06,048 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz' 2026-02-10T11:43:06,049 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz' 2026-02-10T11:43:06,051 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz' 2026-02-10T11:43:06,052 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz' 2026-02-10T11:43:06,054 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz' 2026-02-10T11:43:06,055 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz' 2026-02-10T11:43:06,057 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz' 2026-02-10T11:43:06,058 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz' 2026-02-10T11:43:06,060 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz' 2026-02-10T11:43:06,062 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz' 2026-02-10T11:43:06,063 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz' 2026-02-10T11:43:06,065 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz' 2026-02-10T11:43:06,066 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz' 2026-02-10T11:43:06,068 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz' 2026-02-10T11:43:06,070 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz' 2026-02-10T11:43:06,071 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz' 2026-02-10T11:43:06,073 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz' 2026-02-10T11:43:06,076 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz' 2026-02-10T11:43:06,077 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz' 2026-02-10T11:43:06,079 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz' 2026-02-10T11:43:06,080 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz' 2026-02-10T11:43:06,082 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz' 2026-02-10T11:43:06,083 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz' 2026-02-10T11:43:06,085 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz' 2026-02-10T11:43:06,087 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz' 2026-02-10T11:43:06,089 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz' 2026-02-10T11:43:06,090 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz' 2026-02-10T11:43:06,092 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz' 2026-02-10T11:43:06,093 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz' 2026-02-10T11:43:06,095 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz' 2026-02-10T11:43:06,097 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz' 2026-02-10T11:43:06,098 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz' 2026-02-10T11:43:06,101 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz' 2026-02-10T11:43:06,103 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz' 2026-02-10T11:43:06,104 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz' 2026-02-10T11:43:06,106 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz' 2026-02-10T11:43:06,108 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz' 2026-02-10T11:43:06,110 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz' 2026-02-10T11:43:06,112 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz' 2026-02-10T11:43:06,113 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz' 2026-02-10T11:43:06,115 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz' 2026-02-10T11:43:06,117 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz' 2026-02-10T11:43:06,119 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz' 2026-02-10T11:43:06,120 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz' 2026-02-10T11:43:06,122 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz' 2026-02-10T11:43:06,124 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz' 2026-02-10T11:43:06,125 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz' 2026-02-10T11:43:06,127 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz' 2026-02-10T11:43:06,128 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz' 2026-02-10T11:43:06,130 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz' 2026-02-10T11:43:06,132 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz' 2026-02-10T11:43:06,133 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz' 2026-02-10T11:43:06,135 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz' 2026-02-10T11:43:06,137 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz' 2026-02-10T11:43:06,138 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz' 2026-02-10T11:43:06,140 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz' 2026-02-10T11:43:06,141 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz' 2026-02-10T11:43:06,144 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz' 2026-02-10T11:43:06,146 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz' 2026-02-10T11:43:06,148 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz' 2026-02-10T11:43:06,150 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz' 2026-02-10T11:43:06,151 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz' 2026-02-10T11:43:06,153 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz' 2026-02-10T11:43:06,155 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz' 2026-02-10T11:43:06,157 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz' 2026-02-10T11:43:06,159 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz' 2026-02-10T11:43:06,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz' 2026-02-10T11:43:06,166 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz' 2026-02-10T11:43:06,168 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz' 2026-02-10T11:43:06,170 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz' 2026-02-10T11:43:06,172 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz' 2026-02-10T11:43:06,174 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz' 2026-02-10T11:43:06,176 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz' 2026-02-10T11:43:06,178 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz' 2026-02-10T11:43:06,180 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz' 2026-02-10T11:43:06,182 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz' 2026-02-10T11:43:06,184 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz' 2026-02-10T11:43:06,186 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz' 2026-02-10T11:43:06,188 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz' 2026-02-10T11:43:06,190 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz' 2026-02-10T11:43:06,192 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz' 2026-02-10T11:43:06,196 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz' 2026-02-10T11:43:06,198 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz' 2026-02-10T11:43:06,199 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz' 2026-02-10T11:43:06,201 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz' 2026-02-10T11:43:06,202 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz' 2026-02-10T11:43:06,204 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz' 2026-02-10T11:43:06,205 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz' 2026-02-10T11:43:06,207 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz' 2026-02-10T11:43:06,208 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz' 2026-02-10T11:43:06,210 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz' 2026-02-10T11:43:06,211 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz' 2026-02-10T11:43:06,213 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz' 2026-02-10T11:43:06,215 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz' 2026-02-10T11:43:06,216 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz' 2026-02-10T11:43:06,218 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz' 2026-02-10T11:43:06,219 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz' 2026-02-10T11:43:06,221 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz' 2026-02-10T11:43:06,222 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz' 2026-02-10T11:43:06,224 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz' 2026-02-10T11:43:06,225 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz' 2026-02-10T11:43:06,227 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz' 2026-02-10T11:43:06,229 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz' 2026-02-10T11:43:06,230 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz' 2026-02-10T11:43:06,232 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz' 2026-02-10T11:43:06,233 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz' 2026-02-10T11:43:06,235 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh/struc.xyz' 2026-02-10T11:43:06,237 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono/struc.xyz' 2026-02-10T11:43:06,238 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo/struc.xyz' 2026-02-10T11:43:06,240 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2/struc.xyz' 2026-02-10T11:43:06,241 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz' 2026-02-10T11:43:06,243 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz' 2026-02-10T11:43:06,244 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz' 2026-02-10T11:43:06,246 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz' 2026-02-10T11:43:06,247 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz' 2026-02-10T11:43:06,249 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz' 2026-02-10T11:43:06,250 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz' 2026-02-10T11:43:06,252 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz' 2026-02-10T11:43:06,253 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz' 2026-02-10T11:43:06,255 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz' 2026-02-10T11:43:06,257 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz' 2026-02-10T11:43:06,258 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz' 2026-02-10T11:43:06,260 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing/struc.xyz' 2026-02-10T11:43:06,261 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip/struc.xyz' 2026-02-10T11:43:06,263 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz' 2026-02-10T11:43:06,265 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz' 2026-02-10T11:43:06,266 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz' 2026-02-10T11:43:06,268 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz' 2026-02-10T11:43:06,270 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz' 2026-02-10T11:43:06,271 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz' 2026-02-10T11:43:06,273 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz' 2026-02-10T11:43:06,275 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz' 2026-02-10T11:43:06,276 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz' 2026-02-10T11:43:06,278 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz' 2026-02-10T11:43:06,279 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz' 2026-02-10T11:43:06,281 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz' 2026-02-10T11:43:06,282 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz' 2026-02-10T11:43:06,283 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz' 2026-02-10T11:43:06,285 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz' 2026-02-10T11:43:06,286 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz' 2026-02-10T11:43:06,288 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz' 2026-02-10T11:43:06,289 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz' 2026-02-10T11:43:06,291 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz' 2026-02-10T11:43:06,292 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz' 2026-02-10T11:43:06,294 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz' 2026-02-10T11:43:06,295 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz' 2026-02-10T11:43:06,297 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz' 2026-02-10T11:43:06,298 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz' 2026-02-10T11:43:06,300 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz' 2026-02-10T11:43:06,301 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz' 2026-02-10T11:43:06,303 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz' 2026-02-10T11:43:06,304 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz' 2026-02-10T11:43:06,306 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz' 2026-02-10T11:43:06,307 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz' 2026-02-10T11:43:06,309 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz' 2026-02-10T11:43:06,310 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz' 2026-02-10T11:43:06,312 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz' 2026-02-10T11:43:06,313 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz' 2026-02-10T11:43:06,315 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz' 2026-02-10T11:43:06,317 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz' 2026-02-10T11:43:06,318 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz' 2026-02-10T11:43:06,320 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz' 2026-02-10T11:43:06,321 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz' 2026-02-10T11:43:06,323 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz' 2026-02-10T11:43:06,324 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz' 2026-02-10T11:43:06,326 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz' 2026-02-10T11:43:06,328 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz' 2026-02-10T11:43:06,329 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz' 2026-02-10T11:43:06,331 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz' 2026-02-10T11:43:06,333 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz' 2026-02-10T11:43:06,334 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz' 2026-02-10T11:43:06,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz' 2026-02-10T11:43:06,338 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz' 2026-02-10T11:43:06,340 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz' 2026-02-10T11:43:06,343 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz' 2026-02-10T11:43:06,344 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz' 2026-02-10T11:43:06,346 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz' 2026-02-10T11:43:06,348 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz' 2026-02-10T11:43:06,349 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz' 2026-02-10T11:43:06,351 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz' 2026-02-10T11:43:06,353 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz' 2026-02-10T11:43:06,354 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz' 2026-02-10T11:43:06,355 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz' 2026-02-10T11:43:06,357 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz' 2026-02-10T11:43:06,359 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz' 2026-02-10T11:43:06,360 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz' 2026-02-10T11:43:06,362 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz' 2026-02-10T11:43:06,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz' 2026-02-10T11:43:06,365 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz' 2026-02-10T11:43:06,367 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz' 2026-02-10T11:43:06,368 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz' 2026-02-10T11:43:06,370 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz' 2026-02-10T11:43:06,372 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz' 2026-02-10T11:43:06,373 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz' 2026-02-10T11:43:06,375 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz' 2026-02-10T11:43:06,376 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz' 2026-02-10T11:43:06,378 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz' 2026-02-10T11:43:06,379 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz' 2026-02-10T11:43:06,381 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz' 2026-02-10T11:43:06,384 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz' 2026-02-10T11:43:06,386 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz' 2026-02-10T11:43:06,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz' 2026-02-10T11:43:06,389 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz' 2026-02-10T11:43:06,390 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz' 2026-02-10T11:43:06,392 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz' 2026-02-10T11:43:06,393 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz' 2026-02-10T11:43:06,395 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz' 2026-02-10T11:43:06,397 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz' 2026-02-10T11:43:06,398 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz' 2026-02-10T11:43:06,400 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz' 2026-02-10T11:43:06,401 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz' 2026-02-10T11:43:06,403 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz' 2026-02-10T11:43:06,405 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz' 2026-02-10T11:43:06,406 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz' 2026-02-10T11:43:06,408 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz' 2026-02-10T11:43:06,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz' 2026-02-10T11:43:06,411 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v/struc.xyz' 2026-02-10T11:43:06,413 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz' 2026-02-10T11:43:06,415 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz' 2026-02-10T11:43:06,416 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz' 2026-02-10T11:43:06,418 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz' 2026-02-10T11:43:06,420 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz' 2026-02-10T11:43:06,421 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz' 2026-02-10T11:43:06,423 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz' 2026-02-10T11:43:06,425 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz' 2026-02-10T11:43:06,426 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz' 2026-02-10T11:43:06,428 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz' 2026-02-10T11:43:06,429 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz' 2026-02-10T11:43:06,431 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz' 2026-02-10T11:43:06,433 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh/struc.xyz' 2026-02-10T11:43:06,435 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono/struc.xyz' 2026-02-10T11:43:06,437 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo/struc.xyz' 2026-02-10T11:43:06,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2/struc.xyz' 2026-02-10T11:43:06,441 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz' 2026-02-10T11:43:06,443 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz' 2026-02-10T11:43:06,444 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz' 2026-02-10T11:43:06,446 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz' 2026-02-10T11:43:06,448 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz' 2026-02-10T11:43:06,450 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz' 2026-02-10T11:43:06,451 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz' 2026-02-10T11:43:06,453 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz' 2026-02-10T11:43:06,455 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz' 2026-02-10T11:43:06,456 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz' 2026-02-10T11:43:06,458 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz' 2026-02-10T11:43:06,460 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz' 2026-02-10T11:43:06,461 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz' 2026-02-10T11:43:06,463 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz' 2026-02-10T11:43:06,465 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz' 2026-02-10T11:43:06,466 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz' 2026-02-10T11:43:06,468 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz' 2026-02-10T11:43:06,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz' 2026-02-10T11:43:06,471 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz' 2026-02-10T11:43:06,472 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz' 2026-02-10T11:43:06,474 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz' 2026-02-10T11:43:06,476 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz' 2026-02-10T11:43:06,477 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz' 2026-02-10T11:43:06,479 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz' 2026-02-10T11:43:06,481 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz' 2026-02-10T11:43:06,482 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz' 2026-02-10T11:43:06,484 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz' 2026-02-10T11:43:06,486 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz' 2026-02-10T11:43:06,487 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz' 2026-02-10T11:43:06,489 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz' 2026-02-10T11:43:06,492 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz' 2026-02-10T11:43:06,493 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz' 2026-02-10T11:43:06,495 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz' 2026-02-10T11:43:06,497 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz' 2026-02-10T11:43:06,498 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz' 2026-02-10T11:43:06,500 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz' 2026-02-10T11:43:06,502 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz' 2026-02-10T11:43:06,503 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz' 2026-02-10T11:43:06,505 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz' 2026-02-10T11:43:06,506 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz' 2026-02-10T11:43:06,508 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz' 2026-02-10T11:43:06,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz' 2026-02-10T11:43:06,511 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz' 2026-02-10T11:43:06,512 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz' 2026-02-10T11:43:06,514 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz' 2026-02-10T11:43:06,515 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz' 2026-02-10T11:43:06,517 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz' 2026-02-10T11:43:06,519 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz' 2026-02-10T11:43:06,520 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz' 2026-02-10T11:43:06,522 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz' 2026-02-10T11:43:06,523 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz' 2026-02-10T11:43:06,525 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz' 2026-02-10T11:43:06,526 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz' 2026-02-10T11:43:06,528 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz' 2026-02-10T11:43:06,529 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz' 2026-02-10T11:43:06,531 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz' 2026-02-10T11:43:06,533 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz' 2026-02-10T11:43:06,535 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz' 2026-02-10T11:43:06,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz' 2026-02-10T11:43:06,538 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz' 2026-02-10T11:43:06,540 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz' 2026-02-10T11:43:06,542 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz' 2026-02-10T11:43:06,543 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz' 2026-02-10T11:43:06,545 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz' 2026-02-10T11:43:06,547 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz' 2026-02-10T11:43:06,549 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz' 2026-02-10T11:43:06,550 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz' 2026-02-10T11:43:06,552 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz' 2026-02-10T11:43:06,554 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz' 2026-02-10T11:43:06,555 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz' 2026-02-10T11:43:06,557 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz' 2026-02-10T11:43:06,559 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz' 2026-02-10T11:43:06,560 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz' 2026-02-10T11:43:06,562 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz' 2026-02-10T11:43:06,564 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz' 2026-02-10T11:43:06,565 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz' 2026-02-10T11:43:06,567 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz' 2026-02-10T11:43:06,569 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz' 2026-02-10T11:43:06,571 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz' 2026-02-10T11:43:06,572 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz' 2026-02-10T11:43:06,574 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz' 2026-02-10T11:43:06,576 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz' 2026-02-10T11:43:06,577 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz' 2026-02-10T11:43:06,579 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz' 2026-02-10T11:43:06,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz' 2026-02-10T11:43:06,582 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz' 2026-02-10T11:43:06,584 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz' 2026-02-10T11:43:06,586 adding 'xcbm/Input_Scripts/calc_GMTKN55.py' 2026-02-10T11:43:06,587 adding 'xcbm/Input_Scripts/calc_MGCDB84.py' 2026-02-10T11:43:06,637 adding 'xcbm/MGCDB84_Dataset/DatasetEval.csv' 2026-02-10T11:43:06,644 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz' 2026-02-10T11:43:06,645 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz' 2026-02-10T11:43:06,646 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz' 2026-02-10T11:43:06,647 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz' 2026-02-10T11:43:06,648 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz' 2026-02-10T11:43:06,649 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz' 2026-02-10T11:43:06,651 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz' 2026-02-10T11:43:06,652 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz' 2026-02-10T11:43:06,661 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz' 2026-02-10T11:43:06,662 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz' 2026-02-10T11:43:06,664 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz' 2026-02-10T11:43:06,665 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz' 2026-02-10T11:43:06,666 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz' 2026-02-10T11:43:06,667 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz' 2026-02-10T11:43:06,669 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz' 2026-02-10T11:43:06,670 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz' 2026-02-10T11:43:06,671 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz' 2026-02-10T11:43:06,672 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz' 2026-02-10T11:43:06,673 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz' 2026-02-10T11:43:06,674 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz' 2026-02-10T11:43:06,675 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz' 2026-02-10T11:43:06,677 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz' 2026-02-10T11:43:06,678 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz' 2026-02-10T11:43:06,679 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz' 2026-02-10T11:43:06,680 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz' 2026-02-10T11:43:06,681 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz' 2026-02-10T11:43:06,682 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz' 2026-02-10T11:43:06,683 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz' 2026-02-10T11:43:06,685 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz' 2026-02-10T11:43:06,686 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:06,687 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:06,688 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:06,689 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz' 2026-02-10T11:43:06,690 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz' 2026-02-10T11:43:06,692 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz' 2026-02-10T11:43:06,693 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:06,694 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:06,695 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:06,696 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz' 2026-02-10T11:43:06,697 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz' 2026-02-10T11:43:06,698 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz' 2026-02-10T11:43:06,699 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:06,700 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:06,701 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:06,702 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz' 2026-02-10T11:43:06,703 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz' 2026-02-10T11:43:06,704 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz' 2026-02-10T11:43:06,706 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:06,707 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:06,708 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:06,709 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz' 2026-02-10T11:43:06,710 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz' 2026-02-10T11:43:06,711 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz' 2026-02-10T11:43:06,712 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:06,714 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:06,715 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:06,716 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz' 2026-02-10T11:43:06,717 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz' 2026-02-10T11:43:06,718 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz' 2026-02-10T11:43:06,719 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:06,720 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:06,722 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:06,723 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz' 2026-02-10T11:43:06,724 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz' 2026-02-10T11:43:06,725 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz' 2026-02-10T11:43:06,726 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:06,727 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:06,729 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:06,730 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz' 2026-02-10T11:43:06,731 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz' 2026-02-10T11:43:06,732 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz' 2026-02-10T11:43:06,733 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:06,734 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:06,735 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:06,737 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz' 2026-02-10T11:43:06,738 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz' 2026-02-10T11:43:06,739 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz' 2026-02-10T11:43:06,740 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:06,741 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:06,742 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:06,743 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz' 2026-02-10T11:43:06,744 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz' 2026-02-10T11:43:06,745 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz' 2026-02-10T11:43:06,746 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:06,747 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:06,749 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:06,750 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz' 2026-02-10T11:43:06,751 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz' 2026-02-10T11:43:06,752 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz' 2026-02-10T11:43:06,753 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:06,755 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:06,756 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:06,757 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz' 2026-02-10T11:43:06,758 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz' 2026-02-10T11:43:06,759 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz' 2026-02-10T11:43:06,760 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:06,762 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:06,763 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:06,764 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:06,765 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:06,766 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:06,767 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:06,768 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:06,770 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:06,771 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:06,772 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:06,773 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:06,774 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:06,776 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:06,777 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:06,778 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:06,779 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:06,780 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:06,781 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:06,782 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:06,783 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:06,784 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:06,785 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:06,786 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:06,788 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:06,789 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:06,790 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:06,791 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:06,792 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:06,793 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:06,794 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:06,796 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:06,797 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:06,798 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:06,799 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:06,800 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:06,801 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:06,803 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:06,804 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:06,805 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz' 2026-02-10T11:43:06,806 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz' 2026-02-10T11:43:06,807 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz' 2026-02-10T11:43:06,808 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:06,810 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:06,811 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:06,812 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz' 2026-02-10T11:43:06,813 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz' 2026-02-10T11:43:06,815 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz' 2026-02-10T11:43:06,816 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:06,817 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:06,818 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:06,819 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz' 2026-02-10T11:43:06,820 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz' 2026-02-10T11:43:06,821 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz' 2026-02-10T11:43:06,822 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:06,824 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:06,825 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:06,826 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:06,827 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:06,828 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:06,829 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:06,831 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:06,832 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:06,833 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:06,834 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:06,835 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:06,836 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:06,837 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:06,838 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:06,840 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:06,841 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:06,842 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:06,843 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:06,845 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:06,846 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:06,847 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz' 2026-02-10T11:43:06,848 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz' 2026-02-10T11:43:06,849 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz' 2026-02-10T11:43:06,851 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:06,852 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:06,853 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:06,854 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz' 2026-02-10T11:43:06,855 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz' 2026-02-10T11:43:06,857 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz' 2026-02-10T11:43:06,858 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:06,859 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:06,860 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:06,861 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz' 2026-02-10T11:43:06,863 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz' 2026-02-10T11:43:06,864 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz' 2026-02-10T11:43:06,865 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:06,866 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:06,867 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:06,868 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz' 2026-02-10T11:43:06,869 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz' 2026-02-10T11:43:06,871 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz' 2026-02-10T11:43:06,872 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:06,873 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:06,874 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:06,875 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz' 2026-02-10T11:43:06,876 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz' 2026-02-10T11:43:06,877 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz' 2026-02-10T11:43:06,879 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:06,880 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:06,881 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:06,882 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz' 2026-02-10T11:43:06,883 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz' 2026-02-10T11:43:06,885 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz' 2026-02-10T11:43:06,886 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:06,887 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:06,888 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:06,889 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz' 2026-02-10T11:43:06,891 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz' 2026-02-10T11:43:06,892 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz' 2026-02-10T11:43:06,893 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:06,894 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:06,895 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:06,896 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz' 2026-02-10T11:43:06,898 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz' 2026-02-10T11:43:06,899 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz' 2026-02-10T11:43:06,900 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:06,901 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:06,902 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:06,904 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz' 2026-02-10T11:43:06,905 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz' 2026-02-10T11:43:06,906 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz' 2026-02-10T11:43:06,907 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:06,908 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:06,909 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:06,910 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz' 2026-02-10T11:43:06,911 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz' 2026-02-10T11:43:06,913 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz' 2026-02-10T11:43:06,914 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz' 2026-02-10T11:43:06,915 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz' 2026-02-10T11:43:06,916 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz' 2026-02-10T11:43:06,917 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz' 2026-02-10T11:43:06,918 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz' 2026-02-10T11:43:06,919 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz' 2026-02-10T11:43:06,921 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz' 2026-02-10T11:43:06,922 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz' 2026-02-10T11:43:06,923 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz' 2026-02-10T11:43:06,924 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz' 2026-02-10T11:43:06,925 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz' 2026-02-10T11:43:06,926 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz' 2026-02-10T11:43:06,927 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz' 2026-02-10T11:43:06,929 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz' 2026-02-10T11:43:06,930 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz' 2026-02-10T11:43:06,931 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:06,932 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:06,934 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:06,935 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:06,936 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:06,937 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:06,939 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:06,940 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:06,941 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:06,942 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:06,943 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:06,945 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:06,946 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:06,947 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:06,948 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:06,949 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:06,951 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:06,952 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:06,953 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz' 2026-02-10T11:43:06,954 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz' 2026-02-10T11:43:06,955 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz' 2026-02-10T11:43:06,956 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:06,957 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:06,958 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:06,959 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz' 2026-02-10T11:43:06,961 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz' 2026-02-10T11:43:06,962 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz' 2026-02-10T11:43:06,963 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:06,964 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:06,965 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:06,966 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz' 2026-02-10T11:43:06,967 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz' 2026-02-10T11:43:06,969 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz' 2026-02-10T11:43:06,970 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:06,971 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:06,972 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:06,973 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz' 2026-02-10T11:43:06,975 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz' 2026-02-10T11:43:06,976 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz' 2026-02-10T11:43:06,977 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:06,978 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:06,979 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:06,981 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz' 2026-02-10T11:43:06,982 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz' 2026-02-10T11:43:06,983 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz' 2026-02-10T11:43:06,984 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:06,985 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:06,987 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:06,988 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz' 2026-02-10T11:43:06,989 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz' 2026-02-10T11:43:06,990 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz' 2026-02-10T11:43:06,991 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:06,993 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:06,994 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:06,995 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz' 2026-02-10T11:43:06,996 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz' 2026-02-10T11:43:06,997 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz' 2026-02-10T11:43:06,998 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:06,999 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:07,001 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:07,002 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz' 2026-02-10T11:43:07,003 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz' 2026-02-10T11:43:07,004 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz' 2026-02-10T11:43:07,005 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:07,006 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:07,008 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:07,009 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz' 2026-02-10T11:43:07,010 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz' 2026-02-10T11:43:07,011 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz' 2026-02-10T11:43:07,012 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:07,013 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:07,015 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:07,016 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz' 2026-02-10T11:43:07,017 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz' 2026-02-10T11:43:07,018 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz' 2026-02-10T11:43:07,019 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:07,021 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:07,022 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:07,023 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz' 2026-02-10T11:43:07,024 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz' 2026-02-10T11:43:07,025 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz' 2026-02-10T11:43:07,027 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:07,028 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:07,029 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:07,030 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz' 2026-02-10T11:43:07,032 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz' 2026-02-10T11:43:07,033 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz' 2026-02-10T11:43:07,034 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:07,035 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:07,036 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:07,038 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz' 2026-02-10T11:43:07,039 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz' 2026-02-10T11:43:07,040 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz' 2026-02-10T11:43:07,041 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz' 2026-02-10T11:43:07,042 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz' 2026-02-10T11:43:07,043 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz' 2026-02-10T11:43:07,044 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz' 2026-02-10T11:43:07,046 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz' 2026-02-10T11:43:07,047 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz' 2026-02-10T11:43:07,048 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz' 2026-02-10T11:43:07,049 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz' 2026-02-10T11:43:07,050 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz' 2026-02-10T11:43:07,052 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz' 2026-02-10T11:43:07,053 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz' 2026-02-10T11:43:07,054 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz' 2026-02-10T11:43:07,055 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz' 2026-02-10T11:43:07,056 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz' 2026-02-10T11:43:07,057 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz' 2026-02-10T11:43:07,059 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:07,060 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:07,061 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:07,062 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:07,064 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:07,065 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:07,066 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:07,067 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:07,068 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:07,070 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:07,071 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:07,072 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:07,073 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:07,075 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:07,076 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:07,077 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:07,078 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:07,079 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:07,081 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz' 2026-02-10T11:43:07,082 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz' 2026-02-10T11:43:07,083 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz' 2026-02-10T11:43:07,084 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:07,085 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:07,087 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:07,088 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz' 2026-02-10T11:43:07,089 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz' 2026-02-10T11:43:07,090 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz' 2026-02-10T11:43:07,091 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:07,092 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:07,093 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:07,095 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz' 2026-02-10T11:43:07,096 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz' 2026-02-10T11:43:07,097 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz' 2026-02-10T11:43:07,098 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:07,099 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:07,101 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:07,102 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz' 2026-02-10T11:43:07,103 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz' 2026-02-10T11:43:07,104 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz' 2026-02-10T11:43:07,106 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz' 2026-02-10T11:43:07,107 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz' 2026-02-10T11:43:07,108 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz' 2026-02-10T11:43:07,109 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz' 2026-02-10T11:43:07,111 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz' 2026-02-10T11:43:07,112 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz' 2026-02-10T11:43:07,113 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz' 2026-02-10T11:43:07,115 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz' 2026-02-10T11:43:07,116 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz' 2026-02-10T11:43:07,117 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz' 2026-02-10T11:43:07,118 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz' 2026-02-10T11:43:07,120 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz' 2026-02-10T11:43:07,121 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz' 2026-02-10T11:43:07,122 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz' 2026-02-10T11:43:07,123 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz' 2026-02-10T11:43:07,124 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz' 2026-02-10T11:43:07,126 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz' 2026-02-10T11:43:07,127 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz' 2026-02-10T11:43:07,128 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:07,130 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:07,131 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:07,132 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz' 2026-02-10T11:43:07,133 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz' 2026-02-10T11:43:07,134 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz' 2026-02-10T11:43:07,135 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:07,136 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:07,137 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:07,139 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz' 2026-02-10T11:43:07,140 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz' 2026-02-10T11:43:07,141 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz' 2026-02-10T11:43:07,142 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:07,143 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:07,144 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:07,153 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz' 2026-02-10T11:43:07,155 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz' 2026-02-10T11:43:07,156 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz' 2026-02-10T11:43:07,157 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz' 2026-02-10T11:43:07,158 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz' 2026-02-10T11:43:07,159 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz' 2026-02-10T11:43:07,160 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz' 2026-02-10T11:43:07,161 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz' 2026-02-10T11:43:07,163 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz' 2026-02-10T11:43:07,164 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz' 2026-02-10T11:43:07,165 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz' 2026-02-10T11:43:07,166 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz' 2026-02-10T11:43:07,167 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:07,168 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:07,170 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:07,171 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz' 2026-02-10T11:43:07,172 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:07,173 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:07,174 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:07,175 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz' 2026-02-10T11:43:07,177 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:07,178 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:07,179 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:07,180 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz' 2026-02-10T11:43:07,181 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:07,182 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:07,183 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:07,185 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz' 2026-02-10T11:43:07,186 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:07,187 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:07,188 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:07,189 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz' 2026-02-10T11:43:07,190 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:07,191 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:07,192 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:07,194 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz' 2026-02-10T11:43:07,195 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:07,196 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:07,197 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:07,198 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz' 2026-02-10T11:43:07,200 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:07,201 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:07,202 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:07,203 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz' 2026-02-10T11:43:07,205 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:07,206 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:07,207 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:07,208 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz' 2026-02-10T11:43:07,210 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:07,211 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:07,212 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:07,213 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz' 2026-02-10T11:43:07,215 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:07,216 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:07,217 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:07,218 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz' 2026-02-10T11:43:07,220 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:07,221 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:07,222 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:07,223 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz' 2026-02-10T11:43:07,224 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:07,226 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:07,227 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:07,228 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz' 2026-02-10T11:43:07,229 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:07,231 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:07,232 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:07,233 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz' 2026-02-10T11:43:07,235 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:07,236 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:07,237 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:07,238 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz' 2026-02-10T11:43:07,239 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:07,240 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:07,242 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:07,243 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz' 2026-02-10T11:43:07,244 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:07,245 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:07,247 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:07,248 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz' 2026-02-10T11:43:07,249 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:07,250 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:07,252 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:07,253 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz' 2026-02-10T11:43:07,254 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:07,255 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:07,257 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:07,258 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz' 2026-02-10T11:43:07,259 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:07,260 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:07,261 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:07,263 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz' 2026-02-10T11:43:07,264 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:07,265 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:07,266 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:07,268 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz' 2026-02-10T11:43:07,269 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:07,270 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:07,272 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:07,273 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz' 2026-02-10T11:43:07,274 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:07,276 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:07,277 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:07,278 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz' 2026-02-10T11:43:07,279 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:07,280 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:07,281 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:07,282 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz' 2026-02-10T11:43:07,284 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:07,285 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:07,286 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:07,287 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz' 2026-02-10T11:43:07,289 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:07,290 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:07,291 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:07,292 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz' 2026-02-10T11:43:07,293 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:07,295 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:07,296 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:07,297 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz' 2026-02-10T11:43:07,298 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:07,299 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:07,301 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:07,302 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz' 2026-02-10T11:43:07,303 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:07,304 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:07,305 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:07,307 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz' 2026-02-10T11:43:07,308 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:07,309 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:07,310 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:07,312 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz' 2026-02-10T11:43:07,313 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:07,314 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:07,316 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:07,317 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz' 2026-02-10T11:43:07,319 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:07,320 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:07,321 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:07,322 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz' 2026-02-10T11:43:07,323 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:07,324 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:07,326 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:07,327 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz' 2026-02-10T11:43:07,328 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz' 2026-02-10T11:43:07,329 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz' 2026-02-10T11:43:07,330 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz' 2026-02-10T11:43:07,331 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz' 2026-02-10T11:43:07,332 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz' 2026-02-10T11:43:07,333 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz' 2026-02-10T11:43:07,334 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz' 2026-02-10T11:43:07,336 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz' 2026-02-10T11:43:07,337 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz' 2026-02-10T11:43:07,338 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz' 2026-02-10T11:43:07,339 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz' 2026-02-10T11:43:07,340 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz' 2026-02-10T11:43:07,341 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:07,343 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:07,344 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:07,345 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz' 2026-02-10T11:43:07,346 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:07,348 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:07,349 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:07,350 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz' 2026-02-10T11:43:07,351 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:07,353 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:07,354 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:07,355 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz' 2026-02-10T11:43:07,356 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:07,357 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:07,359 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:07,360 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz' 2026-02-10T11:43:07,361 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:07,362 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:07,363 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:07,365 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz' 2026-02-10T11:43:07,366 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:07,367 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:07,368 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:07,369 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz' 2026-02-10T11:43:07,370 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:07,371 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:07,372 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:07,373 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz' 2026-02-10T11:43:07,375 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:07,376 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:07,377 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:07,378 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz' 2026-02-10T11:43:07,379 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:07,380 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:07,382 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:07,383 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz' 2026-02-10T11:43:07,384 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:07,385 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:07,386 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:07,388 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz' 2026-02-10T11:43:07,389 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:07,390 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:07,391 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:07,393 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz' 2026-02-10T11:43:07,394 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:07,395 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:07,396 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:07,397 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz' 2026-02-10T11:43:07,399 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:07,400 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:07,401 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:07,402 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz' 2026-02-10T11:43:07,404 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:07,405 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:07,406 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:07,407 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz' 2026-02-10T11:43:07,408 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:07,409 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:07,410 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:07,412 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz' 2026-02-10T11:43:07,413 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz' 2026-02-10T11:43:07,414 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz' 2026-02-10T11:43:07,415 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz' 2026-02-10T11:43:07,416 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz' 2026-02-10T11:43:07,417 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz' 2026-02-10T11:43:07,419 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz' 2026-02-10T11:43:07,420 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz' 2026-02-10T11:43:07,421 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz' 2026-02-10T11:43:07,422 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz' 2026-02-10T11:43:07,423 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz' 2026-02-10T11:43:07,424 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz' 2026-02-10T11:43:07,426 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz' 2026-02-10T11:43:07,427 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:07,428 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:07,429 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:07,431 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz' 2026-02-10T11:43:07,432 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:07,433 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:07,434 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:07,436 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz' 2026-02-10T11:43:07,437 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:07,438 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:07,439 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:07,441 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz' 2026-02-10T11:43:07,442 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:07,443 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:07,444 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:07,445 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz' 2026-02-10T11:43:07,447 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:07,448 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:07,449 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:07,450 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz' 2026-02-10T11:43:07,452 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:07,453 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:07,454 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:07,455 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz' 2026-02-10T11:43:07,456 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz' 2026-02-10T11:43:07,457 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz' 2026-02-10T11:43:07,458 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz' 2026-02-10T11:43:07,459 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz' 2026-02-10T11:43:07,461 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz' 2026-02-10T11:43:07,462 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz' 2026-02-10T11:43:07,463 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz' 2026-02-10T11:43:07,464 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz' 2026-02-10T11:43:07,465 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz' 2026-02-10T11:43:07,466 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz' 2026-02-10T11:43:07,468 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz' 2026-02-10T11:43:07,469 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz' 2026-02-10T11:43:07,470 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:07,471 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:07,472 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:07,474 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz' 2026-02-10T11:43:07,475 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:07,476 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:07,477 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:07,479 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz' 2026-02-10T11:43:07,480 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:07,481 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:07,482 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:07,484 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz' 2026-02-10T11:43:07,490 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,491 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,493 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,494 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,495 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,496 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,498 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,499 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,500 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,502 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,503 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,504 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,506 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,507 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,509 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,510 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,511 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,512 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,513 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,514 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,515 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,516 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,518 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,519 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,520 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,521 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,522 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,524 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,525 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,526 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,528 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,529 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,531 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,532 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,533 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,535 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,536 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,537 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,538 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,540 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,541 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,543 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,544 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,546 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,547 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,548 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,549 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,550 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,551 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,553 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,554 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,555 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,556 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,557 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,558 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,559 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,560 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,561 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,562 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,564 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,565 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,566 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,567 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,568 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,569 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,571 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,572 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,573 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,574 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,576 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,577 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,578 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,579 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,580 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,581 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,583 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,584 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,585 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,586 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,587 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,589 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,590 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,591 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,592 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,593 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,595 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,596 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,597 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,598 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,599 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,600 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,601 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,602 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,603 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,605 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,606 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,607 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,608 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,609 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,610 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,612 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,613 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,614 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,615 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,616 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,617 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,619 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,620 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,621 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,622 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,623 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,624 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,625 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,627 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,628 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,629 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,630 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,631 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,633 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,634 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,635 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,636 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,637 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,638 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,639 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,640 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,641 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,642 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,643 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,644 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,646 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,647 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,648 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,649 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,650 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,651 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,653 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,654 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,655 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,656 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,658 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,659 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,660 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,661 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,662 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,663 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,665 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,666 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,667 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,668 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,669 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,671 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,672 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,673 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,674 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,675 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,677 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,678 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,679 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,680 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,681 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,682 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,683 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,684 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,686 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,687 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,688 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,689 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,690 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,692 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,693 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,694 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,695 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,696 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,697 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,698 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,700 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,701 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,702 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,703 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,704 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,706 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,707 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,709 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,710 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,711 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,713 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,714 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,715 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,717 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,718 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,719 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,720 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,721 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,723 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,724 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,725 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,726 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,727 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,728 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,730 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,731 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,732 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,733 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,734 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,735 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,737 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,738 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,739 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,740 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,742 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,743 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,745 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,746 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,747 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,748 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,750 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,751 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,752 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,753 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,754 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,756 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,757 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,758 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,759 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,760 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,762 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,763 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,764 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,765 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,767 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,768 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,770 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,771 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,772 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,773 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,774 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,775 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,777 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,778 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,779 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,780 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,781 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,782 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,784 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,785 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,786 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,787 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,788 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,790 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,791 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,792 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,793 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,795 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,796 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,797 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,798 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,799 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,800 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,801 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,803 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,804 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,805 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,806 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,807 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,808 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,810 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,811 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,812 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,813 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,814 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,815 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,816 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,817 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,818 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,819 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,820 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,821 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,822 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,823 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,825 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz' 2026-02-10T11:43:07,826 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz' 2026-02-10T11:43:07,827 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz' 2026-02-10T11:43:07,828 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz' 2026-02-10T11:43:07,829 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz' 2026-02-10T11:43:07,830 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz' 2026-02-10T11:43:07,831 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz' 2026-02-10T11:43:07,832 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz' 2026-02-10T11:43:07,834 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz' 2026-02-10T11:43:07,835 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz' 2026-02-10T11:43:07,836 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz' 2026-02-10T11:43:07,837 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz' 2026-02-10T11:43:07,838 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz' 2026-02-10T11:43:07,839 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz' 2026-02-10T11:43:07,842 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz' 2026-02-10T11:43:07,844 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz' 2026-02-10T11:43:07,845 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz' 2026-02-10T11:43:07,846 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz' 2026-02-10T11:43:07,847 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz' 2026-02-10T11:43:07,848 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz' 2026-02-10T11:43:07,849 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz' 2026-02-10T11:43:07,851 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz' 2026-02-10T11:43:07,852 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz' 2026-02-10T11:43:07,853 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz' 2026-02-10T11:43:07,854 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz' 2026-02-10T11:43:07,855 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz' 2026-02-10T11:43:07,857 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz' 2026-02-10T11:43:07,858 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz' 2026-02-10T11:43:07,859 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz' 2026-02-10T11:43:07,860 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz' 2026-02-10T11:43:07,861 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz' 2026-02-10T11:43:07,862 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz' 2026-02-10T11:43:07,863 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz' 2026-02-10T11:43:07,864 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz' 2026-02-10T11:43:07,865 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz' 2026-02-10T11:43:07,866 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz' 2026-02-10T11:43:07,867 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz' 2026-02-10T11:43:07,868 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz' 2026-02-10T11:43:07,869 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz' 2026-02-10T11:43:07,870 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz' 2026-02-10T11:43:07,871 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz' 2026-02-10T11:43:07,873 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz' 2026-02-10T11:43:07,874 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz' 2026-02-10T11:43:07,875 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz' 2026-02-10T11:43:07,876 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz' 2026-02-10T11:43:07,877 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz' 2026-02-10T11:43:07,878 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz' 2026-02-10T11:43:07,879 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz' 2026-02-10T11:43:07,881 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz' 2026-02-10T11:43:07,882 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz' 2026-02-10T11:43:07,883 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz' 2026-02-10T11:43:07,884 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz' 2026-02-10T11:43:07,885 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz' 2026-02-10T11:43:07,887 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz' 2026-02-10T11:43:07,888 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz' 2026-02-10T11:43:07,889 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz' 2026-02-10T11:43:07,890 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz' 2026-02-10T11:43:07,891 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz' 2026-02-10T11:43:07,892 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz' 2026-02-10T11:43:07,893 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz' 2026-02-10T11:43:07,895 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz' 2026-02-10T11:43:07,896 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz' 2026-02-10T11:43:07,897 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz' 2026-02-10T11:43:07,898 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz' 2026-02-10T11:43:07,899 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz' 2026-02-10T11:43:07,901 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz' 2026-02-10T11:43:07,902 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz' 2026-02-10T11:43:07,903 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz' 2026-02-10T11:43:07,904 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz' 2026-02-10T11:43:07,905 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz' 2026-02-10T11:43:07,906 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz' 2026-02-10T11:43:07,907 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz' 2026-02-10T11:43:07,908 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz' 2026-02-10T11:43:07,909 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz' 2026-02-10T11:43:07,910 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz' 2026-02-10T11:43:07,911 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz' 2026-02-10T11:43:07,912 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz' 2026-02-10T11:43:07,913 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz' 2026-02-10T11:43:07,915 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz' 2026-02-10T11:43:07,916 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz' 2026-02-10T11:43:07,917 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz' 2026-02-10T11:43:07,918 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz' 2026-02-10T11:43:07,919 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz' 2026-02-10T11:43:07,920 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz' 2026-02-10T11:43:07,921 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz' 2026-02-10T11:43:07,922 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz' 2026-02-10T11:43:07,924 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz' 2026-02-10T11:43:07,926 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz' 2026-02-10T11:43:07,927 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz' 2026-02-10T11:43:07,928 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz' 2026-02-10T11:43:07,929 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz' 2026-02-10T11:43:07,930 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz' 2026-02-10T11:43:07,932 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz' 2026-02-10T11:43:07,933 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz' 2026-02-10T11:43:07,934 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz' 2026-02-10T11:43:07,935 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz' 2026-02-10T11:43:07,936 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz' 2026-02-10T11:43:07,938 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz' 2026-02-10T11:43:07,939 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz' 2026-02-10T11:43:07,940 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz' 2026-02-10T11:43:07,941 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz' 2026-02-10T11:43:07,942 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz' 2026-02-10T11:43:07,944 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz' 2026-02-10T11:43:07,945 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz' 2026-02-10T11:43:07,947 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz' 2026-02-10T11:43:07,948 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz' 2026-02-10T11:43:07,949 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz' 2026-02-10T11:43:07,950 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz' 2026-02-10T11:43:07,951 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz' 2026-02-10T11:43:07,952 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz' 2026-02-10T11:43:07,953 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz' 2026-02-10T11:43:07,954 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz' 2026-02-10T11:43:07,956 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz' 2026-02-10T11:43:07,956 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz' 2026-02-10T11:43:07,957 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz' 2026-02-10T11:43:07,959 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz' 2026-02-10T11:43:07,960 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz' 2026-02-10T11:43:07,961 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz' 2026-02-10T11:43:07,961 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz' 2026-02-10T11:43:07,963 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz' 2026-02-10T11:43:07,964 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz' 2026-02-10T11:43:07,965 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz' 2026-02-10T11:43:07,967 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz' 2026-02-10T11:43:07,968 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz' 2026-02-10T11:43:07,969 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz' 2026-02-10T11:43:07,970 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz' 2026-02-10T11:43:07,971 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz' 2026-02-10T11:43:07,972 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz' 2026-02-10T11:43:07,973 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz' 2026-02-10T11:43:07,974 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz' 2026-02-10T11:43:07,975 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz' 2026-02-10T11:43:07,977 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz' 2026-02-10T11:43:07,978 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz' 2026-02-10T11:43:07,979 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz' 2026-02-10T11:43:07,980 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz' 2026-02-10T11:43:07,982 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz' 2026-02-10T11:43:07,983 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz' 2026-02-10T11:43:07,984 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz' 2026-02-10T11:43:07,985 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz' 2026-02-10T11:43:07,986 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz' 2026-02-10T11:43:07,988 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz' 2026-02-10T11:43:07,989 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz' 2026-02-10T11:43:07,990 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz' 2026-02-10T11:43:07,993 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz' 2026-02-10T11:43:07,994 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz' 2026-02-10T11:43:07,995 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz' 2026-02-10T11:43:07,996 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz' 2026-02-10T11:43:07,997 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz' 2026-02-10T11:43:07,999 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz' 2026-02-10T11:43:08,000 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz' 2026-02-10T11:43:08,001 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz' 2026-02-10T11:43:08,002 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz' 2026-02-10T11:43:08,004 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz' 2026-02-10T11:43:08,005 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz' 2026-02-10T11:43:08,006 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz' 2026-02-10T11:43:08,007 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz' 2026-02-10T11:43:08,008 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz' 2026-02-10T11:43:08,009 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz' 2026-02-10T11:43:08,010 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz' 2026-02-10T11:43:08,011 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz' 2026-02-10T11:43:08,012 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz' 2026-02-10T11:43:08,014 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz' 2026-02-10T11:43:08,015 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz' 2026-02-10T11:43:08,016 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz' 2026-02-10T11:43:08,017 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz' 2026-02-10T11:43:08,018 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz' 2026-02-10T11:43:08,019 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz' 2026-02-10T11:43:08,021 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz' 2026-02-10T11:43:08,022 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz' 2026-02-10T11:43:08,023 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz' 2026-02-10T11:43:08,024 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz' 2026-02-10T11:43:08,025 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz' 2026-02-10T11:43:08,026 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz' 2026-02-10T11:43:08,028 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz' 2026-02-10T11:43:08,029 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz' 2026-02-10T11:43:08,030 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz' 2026-02-10T11:43:08,031 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz' 2026-02-10T11:43:08,032 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz' 2026-02-10T11:43:08,033 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz' 2026-02-10T11:43:08,035 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz' 2026-02-10T11:43:08,036 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz' 2026-02-10T11:43:08,038 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz' 2026-02-10T11:43:08,039 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz' 2026-02-10T11:43:08,040 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz' 2026-02-10T11:43:08,041 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz' 2026-02-10T11:43:08,044 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz' 2026-02-10T11:43:08,046 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz' 2026-02-10T11:43:08,047 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz' 2026-02-10T11:43:08,048 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz' 2026-02-10T11:43:08,049 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz' 2026-02-10T11:43:08,050 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz' 2026-02-10T11:43:08,052 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz' 2026-02-10T11:43:08,053 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz' 2026-02-10T11:43:08,054 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz' 2026-02-10T11:43:08,055 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz' 2026-02-10T11:43:08,057 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz' 2026-02-10T11:43:08,058 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz' 2026-02-10T11:43:08,059 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz' 2026-02-10T11:43:08,060 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz' 2026-02-10T11:43:08,061 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz' 2026-02-10T11:43:08,062 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz' 2026-02-10T11:43:08,063 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz' 2026-02-10T11:43:08,065 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz' 2026-02-10T11:43:08,066 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz' 2026-02-10T11:43:08,067 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz' 2026-02-10T11:43:08,068 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz' 2026-02-10T11:43:08,069 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz' 2026-02-10T11:43:08,070 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz' 2026-02-10T11:43:08,072 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz' 2026-02-10T11:43:08,073 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz' 2026-02-10T11:43:08,074 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz' 2026-02-10T11:43:08,077 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz' 2026-02-10T11:43:08,078 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz' 2026-02-10T11:43:08,080 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz' 2026-02-10T11:43:08,081 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz' 2026-02-10T11:43:08,082 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz' 2026-02-10T11:43:08,083 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz' 2026-02-10T11:43:08,084 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz' 2026-02-10T11:43:08,085 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz' 2026-02-10T11:43:08,086 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz' 2026-02-10T11:43:08,088 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz' 2026-02-10T11:43:08,089 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz' 2026-02-10T11:43:08,090 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz' 2026-02-10T11:43:08,091 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz' 2026-02-10T11:43:08,092 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz' 2026-02-10T11:43:08,093 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz' 2026-02-10T11:43:08,095 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz' 2026-02-10T11:43:08,096 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz' 2026-02-10T11:43:08,097 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz' 2026-02-10T11:43:08,098 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz' 2026-02-10T11:43:08,099 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz' 2026-02-10T11:43:08,101 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz' 2026-02-10T11:43:08,102 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz' 2026-02-10T11:43:08,103 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz' 2026-02-10T11:43:08,104 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz' 2026-02-10T11:43:08,105 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz' 2026-02-10T11:43:08,106 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz' 2026-02-10T11:43:08,107 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz' 2026-02-10T11:43:08,108 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz' 2026-02-10T11:43:08,109 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz' 2026-02-10T11:43:08,110 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz' 2026-02-10T11:43:08,111 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz' 2026-02-10T11:43:08,112 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz' 2026-02-10T11:43:08,113 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz' 2026-02-10T11:43:08,114 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz' 2026-02-10T11:43:08,115 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz' 2026-02-10T11:43:08,116 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz' 2026-02-10T11:43:08,117 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz' 2026-02-10T11:43:08,118 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz' 2026-02-10T11:43:08,119 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz' 2026-02-10T11:43:08,121 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz' 2026-02-10T11:43:08,122 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz' 2026-02-10T11:43:08,123 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz' 2026-02-10T11:43:08,124 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz' 2026-02-10T11:43:08,125 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz' 2026-02-10T11:43:08,126 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz' 2026-02-10T11:43:08,128 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz' 2026-02-10T11:43:08,129 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz' 2026-02-10T11:43:08,130 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz' 2026-02-10T11:43:08,131 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz' 2026-02-10T11:43:08,132 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz' 2026-02-10T11:43:08,134 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz' 2026-02-10T11:43:08,135 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz' 2026-02-10T11:43:08,136 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz' 2026-02-10T11:43:08,137 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz' 2026-02-10T11:43:08,138 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz' 2026-02-10T11:43:08,139 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz' 2026-02-10T11:43:08,141 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz' 2026-02-10T11:43:08,142 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz' 2026-02-10T11:43:08,143 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz' 2026-02-10T11:43:08,144 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz' 2026-02-10T11:43:08,145 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz' 2026-02-10T11:43:08,146 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz' 2026-02-10T11:43:08,148 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz' 2026-02-10T11:43:08,149 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz' 2026-02-10T11:43:08,150 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz' 2026-02-10T11:43:08,151 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz' 2026-02-10T11:43:08,152 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz' 2026-02-10T11:43:08,153 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz' 2026-02-10T11:43:08,154 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz' 2026-02-10T11:43:08,155 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz' 2026-02-10T11:43:08,156 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz' 2026-02-10T11:43:08,157 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz' 2026-02-10T11:43:08,158 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz' 2026-02-10T11:43:08,159 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz' 2026-02-10T11:43:08,160 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz' 2026-02-10T11:43:08,161 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz' 2026-02-10T11:43:08,163 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz' 2026-02-10T11:43:08,164 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz' 2026-02-10T11:43:08,165 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz' 2026-02-10T11:43:08,166 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz' 2026-02-10T11:43:08,167 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz' 2026-02-10T11:43:08,168 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz' 2026-02-10T11:43:08,169 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz' 2026-02-10T11:43:08,170 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz' 2026-02-10T11:43:08,171 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz' 2026-02-10T11:43:08,172 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz' 2026-02-10T11:43:08,174 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz' 2026-02-10T11:43:08,175 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz' 2026-02-10T11:43:08,176 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz' 2026-02-10T11:43:08,177 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz' 2026-02-10T11:43:08,178 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz' 2026-02-10T11:43:08,179 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz' 2026-02-10T11:43:08,180 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz' 2026-02-10T11:43:08,181 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz' 2026-02-10T11:43:08,183 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz' 2026-02-10T11:43:08,184 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz' 2026-02-10T11:43:08,185 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz' 2026-02-10T11:43:08,187 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz' 2026-02-10T11:43:08,189 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz' 2026-02-10T11:43:08,190 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz' 2026-02-10T11:43:08,191 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz' 2026-02-10T11:43:08,192 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz' 2026-02-10T11:43:08,193 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz' 2026-02-10T11:43:08,195 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz' 2026-02-10T11:43:08,196 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz' 2026-02-10T11:43:08,197 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz' 2026-02-10T11:43:08,198 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz' 2026-02-10T11:43:08,199 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz' 2026-02-10T11:43:08,201 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz' 2026-02-10T11:43:08,202 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz' 2026-02-10T11:43:08,203 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz' 2026-02-10T11:43:08,204 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz' 2026-02-10T11:43:08,205 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz' 2026-02-10T11:43:08,206 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz' 2026-02-10T11:43:08,207 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz' 2026-02-10T11:43:08,208 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz' 2026-02-10T11:43:08,209 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz' 2026-02-10T11:43:08,210 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz' 2026-02-10T11:43:08,211 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz' 2026-02-10T11:43:08,212 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz' 2026-02-10T11:43:08,213 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz' 2026-02-10T11:43:08,215 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz' 2026-02-10T11:43:08,216 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz' 2026-02-10T11:43:08,217 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz' 2026-02-10T11:43:08,218 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz' 2026-02-10T11:43:08,219 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz' 2026-02-10T11:43:08,220 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz' 2026-02-10T11:43:08,221 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz' 2026-02-10T11:43:08,222 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz' 2026-02-10T11:43:08,223 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz' 2026-02-10T11:43:08,225 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz' 2026-02-10T11:43:08,226 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz' 2026-02-10T11:43:08,227 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz' 2026-02-10T11:43:08,228 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz' 2026-02-10T11:43:08,230 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz' 2026-02-10T11:43:08,231 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz' 2026-02-10T11:43:08,232 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz' 2026-02-10T11:43:08,233 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz' 2026-02-10T11:43:08,234 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz' 2026-02-10T11:43:08,236 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz' 2026-02-10T11:43:08,237 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz' 2026-02-10T11:43:08,238 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz' 2026-02-10T11:43:08,239 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz' 2026-02-10T11:43:08,240 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz' 2026-02-10T11:43:08,241 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz' 2026-02-10T11:43:08,244 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz' 2026-02-10T11:43:08,245 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz' 2026-02-10T11:43:08,246 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz' 2026-02-10T11:43:08,247 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz' 2026-02-10T11:43:08,249 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz' 2026-02-10T11:43:08,250 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz' 2026-02-10T11:43:08,251 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz' 2026-02-10T11:43:08,252 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz' 2026-02-10T11:43:08,253 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz' 2026-02-10T11:43:08,255 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz' 2026-02-10T11:43:08,256 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz' 2026-02-10T11:43:08,257 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz' 2026-02-10T11:43:08,258 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz' 2026-02-10T11:43:08,259 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz' 2026-02-10T11:43:08,260 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz' 2026-02-10T11:43:08,261 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz' 2026-02-10T11:43:08,262 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz' 2026-02-10T11:43:08,263 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz' 2026-02-10T11:43:08,264 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz' 2026-02-10T11:43:08,265 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz' 2026-02-10T11:43:08,266 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz' 2026-02-10T11:43:08,267 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz' 2026-02-10T11:43:08,268 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz' 2026-02-10T11:43:08,269 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz' 2026-02-10T11:43:08,271 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz' 2026-02-10T11:43:08,272 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz' 2026-02-10T11:43:08,273 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz' 2026-02-10T11:43:08,274 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz' 2026-02-10T11:43:08,275 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz' 2026-02-10T11:43:08,276 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz' 2026-02-10T11:43:08,277 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz' 2026-02-10T11:43:08,279 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz' 2026-02-10T11:43:08,280 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz' 2026-02-10T11:43:08,281 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz' 2026-02-10T11:43:08,282 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz' 2026-02-10T11:43:08,283 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz' 2026-02-10T11:43:08,285 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz' 2026-02-10T11:43:08,286 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz' 2026-02-10T11:43:08,287 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz' 2026-02-10T11:43:08,288 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz' 2026-02-10T11:43:08,290 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz' 2026-02-10T11:43:08,291 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz' 2026-02-10T11:43:08,292 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz' 2026-02-10T11:43:08,293 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz' 2026-02-10T11:43:08,295 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz' 2026-02-10T11:43:08,296 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz' 2026-02-10T11:43:08,297 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz' 2026-02-10T11:43:08,298 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz' 2026-02-10T11:43:08,299 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz' 2026-02-10T11:43:08,301 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz' 2026-02-10T11:43:08,302 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz' 2026-02-10T11:43:08,303 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz' 2026-02-10T11:43:08,305 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz' 2026-02-10T11:43:08,307 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz' 2026-02-10T11:43:08,308 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz' 2026-02-10T11:43:08,309 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz' 2026-02-10T11:43:08,310 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz' 2026-02-10T11:43:08,311 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz' 2026-02-10T11:43:08,312 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz' 2026-02-10T11:43:08,313 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz' 2026-02-10T11:43:08,315 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz' 2026-02-10T11:43:08,316 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz' 2026-02-10T11:43:08,317 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz' 2026-02-10T11:43:08,318 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz' 2026-02-10T11:43:08,319 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz' 2026-02-10T11:43:08,320 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz' 2026-02-10T11:43:08,322 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz' 2026-02-10T11:43:08,323 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz' 2026-02-10T11:43:08,324 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz' 2026-02-10T11:43:08,325 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz' 2026-02-10T11:43:08,326 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz' 2026-02-10T11:43:08,327 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz' 2026-02-10T11:43:08,329 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz' 2026-02-10T11:43:08,330 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz' 2026-02-10T11:43:08,331 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz' 2026-02-10T11:43:08,332 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz' 2026-02-10T11:43:08,334 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz' 2026-02-10T11:43:08,335 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz' 2026-02-10T11:43:08,336 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz' 2026-02-10T11:43:08,337 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz' 2026-02-10T11:43:08,339 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz' 2026-02-10T11:43:08,340 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz' 2026-02-10T11:43:08,341 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz' 2026-02-10T11:43:08,342 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz' 2026-02-10T11:43:08,344 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz' 2026-02-10T11:43:08,345 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz' 2026-02-10T11:43:08,346 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz' 2026-02-10T11:43:08,347 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz' 2026-02-10T11:43:08,349 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz' 2026-02-10T11:43:08,350 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz' 2026-02-10T11:43:08,353 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz' 2026-02-10T11:43:08,354 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz' 2026-02-10T11:43:08,355 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz' 2026-02-10T11:43:08,356 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz' 2026-02-10T11:43:08,358 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz' 2026-02-10T11:43:08,359 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz' 2026-02-10T11:43:08,360 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz' 2026-02-10T11:43:08,361 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz' 2026-02-10T11:43:08,362 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz' 2026-02-10T11:43:08,363 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz' 2026-02-10T11:43:08,364 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz' 2026-02-10T11:43:08,365 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz' 2026-02-10T11:43:08,366 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz' 2026-02-10T11:43:08,368 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz' 2026-02-10T11:43:08,369 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz' 2026-02-10T11:43:08,370 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz' 2026-02-10T11:43:08,371 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz' 2026-02-10T11:43:08,372 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz' 2026-02-10T11:43:08,373 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz' 2026-02-10T11:43:08,374 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz' 2026-02-10T11:43:08,375 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz' 2026-02-10T11:43:08,377 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz' 2026-02-10T11:43:08,378 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz' 2026-02-10T11:43:08,379 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz' 2026-02-10T11:43:08,380 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz' 2026-02-10T11:43:08,381 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz' 2026-02-10T11:43:08,382 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz' 2026-02-10T11:43:08,384 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz' 2026-02-10T11:43:08,385 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz' 2026-02-10T11:43:08,386 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz' 2026-02-10T11:43:08,387 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz' 2026-02-10T11:43:08,388 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz' 2026-02-10T11:43:08,390 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz' 2026-02-10T11:43:08,391 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz' 2026-02-10T11:43:08,392 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz' 2026-02-10T11:43:08,393 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz' 2026-02-10T11:43:08,394 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz' 2026-02-10T11:43:08,396 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz' 2026-02-10T11:43:08,397 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz' 2026-02-10T11:43:08,398 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz' 2026-02-10T11:43:08,399 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz' 2026-02-10T11:43:08,401 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz' 2026-02-10T11:43:08,402 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz' 2026-02-10T11:43:08,403 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz' 2026-02-10T11:43:08,404 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz' 2026-02-10T11:43:08,406 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz' 2026-02-10T11:43:08,407 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz' 2026-02-10T11:43:08,408 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz' 2026-02-10T11:43:08,409 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz' 2026-02-10T11:43:08,410 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz' 2026-02-10T11:43:08,411 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz' 2026-02-10T11:43:08,412 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz' 2026-02-10T11:43:08,413 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz' 2026-02-10T11:43:08,415 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz' 2026-02-10T11:43:08,416 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz' 2026-02-10T11:43:08,417 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz' 2026-02-10T11:43:08,418 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz' 2026-02-10T11:43:08,419 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz' 2026-02-10T11:43:08,420 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz' 2026-02-10T11:43:08,422 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz' 2026-02-10T11:43:08,423 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz' 2026-02-10T11:43:08,424 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz' 2026-02-10T11:43:08,425 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz' 2026-02-10T11:43:08,426 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz' 2026-02-10T11:43:08,428 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz' 2026-02-10T11:43:08,429 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz' 2026-02-10T11:43:08,430 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz' 2026-02-10T11:43:08,432 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz' 2026-02-10T11:43:08,433 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz' 2026-02-10T11:43:08,434 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz' 2026-02-10T11:43:08,436 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz' 2026-02-10T11:43:08,437 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz' 2026-02-10T11:43:08,438 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz' 2026-02-10T11:43:08,439 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz' 2026-02-10T11:43:08,440 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz' 2026-02-10T11:43:08,442 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz' 2026-02-10T11:43:08,443 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz' 2026-02-10T11:43:08,444 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz' 2026-02-10T11:43:08,445 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz' 2026-02-10T11:43:08,446 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz' 2026-02-10T11:43:08,448 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz' 2026-02-10T11:43:08,449 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz' 2026-02-10T11:43:08,450 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz' 2026-02-10T11:43:08,451 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz' 2026-02-10T11:43:08,452 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz' 2026-02-10T11:43:08,454 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz' 2026-02-10T11:43:08,455 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz' 2026-02-10T11:43:08,456 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz' 2026-02-10T11:43:08,457 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz' 2026-02-10T11:43:08,458 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz' 2026-02-10T11:43:08,461 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz' 2026-02-10T11:43:08,462 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz' 2026-02-10T11:43:08,463 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz' 2026-02-10T11:43:08,464 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz' 2026-02-10T11:43:08,465 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz' 2026-02-10T11:43:08,467 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz' 2026-02-10T11:43:08,468 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz' 2026-02-10T11:43:08,469 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz' 2026-02-10T11:43:08,470 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz' 2026-02-10T11:43:08,472 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz' 2026-02-10T11:43:08,473 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz' 2026-02-10T11:43:08,474 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz' 2026-02-10T11:43:08,476 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz' 2026-02-10T11:43:08,477 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz' 2026-02-10T11:43:08,478 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz' 2026-02-10T11:43:08,480 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz' 2026-02-10T11:43:08,481 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz' 2026-02-10T11:43:08,482 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz' 2026-02-10T11:43:08,483 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz' 2026-02-10T11:43:08,485 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz' 2026-02-10T11:43:08,486 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz' 2026-02-10T11:43:08,487 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz' 2026-02-10T11:43:08,488 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz' 2026-02-10T11:43:08,489 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz' 2026-02-10T11:43:08,491 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz' 2026-02-10T11:43:08,493 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz' 2026-02-10T11:43:08,494 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz' 2026-02-10T11:43:08,496 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz' 2026-02-10T11:43:08,497 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz' 2026-02-10T11:43:08,498 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz' 2026-02-10T11:43:08,499 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz' 2026-02-10T11:43:08,500 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz' 2026-02-10T11:43:08,502 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz' 2026-02-10T11:43:08,503 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz' 2026-02-10T11:43:08,505 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz' 2026-02-10T11:43:08,507 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz' 2026-02-10T11:43:08,508 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz' 2026-02-10T11:43:08,509 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz' 2026-02-10T11:43:08,510 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz' 2026-02-10T11:43:08,511 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz' 2026-02-10T11:43:08,512 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz' 2026-02-10T11:43:08,513 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz' 2026-02-10T11:43:08,515 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz' 2026-02-10T11:43:08,516 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz' 2026-02-10T11:43:08,517 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz' 2026-02-10T11:43:08,519 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz' 2026-02-10T11:43:08,520 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz' 2026-02-10T11:43:08,521 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz' 2026-02-10T11:43:08,522 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz' 2026-02-10T11:43:08,524 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz' 2026-02-10T11:43:08,525 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz' 2026-02-10T11:43:08,526 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz' 2026-02-10T11:43:08,527 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz' 2026-02-10T11:43:08,529 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz' 2026-02-10T11:43:08,530 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz' 2026-02-10T11:43:08,531 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz' 2026-02-10T11:43:08,533 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz' 2026-02-10T11:43:08,534 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz' 2026-02-10T11:43:08,535 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz' 2026-02-10T11:43:08,536 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz' 2026-02-10T11:43:08,538 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz' 2026-02-10T11:43:08,539 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz' 2026-02-10T11:43:08,541 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz' 2026-02-10T11:43:08,542 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz' 2026-02-10T11:43:08,544 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz' 2026-02-10T11:43:08,549 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz' 2026-02-10T11:43:08,551 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz' 2026-02-10T11:43:08,552 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz' 2026-02-10T11:43:08,553 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz' 2026-02-10T11:43:08,554 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz' 2026-02-10T11:43:08,555 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz' 2026-02-10T11:43:08,556 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz' 2026-02-10T11:43:08,558 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz' 2026-02-10T11:43:08,559 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz' 2026-02-10T11:43:08,560 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz' 2026-02-10T11:43:08,561 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz' 2026-02-10T11:43:08,563 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz' 2026-02-10T11:43:08,564 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz' 2026-02-10T11:43:08,565 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz' 2026-02-10T11:43:08,567 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz' 2026-02-10T11:43:08,568 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz' 2026-02-10T11:43:08,569 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz' 2026-02-10T11:43:08,570 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz' 2026-02-10T11:43:08,571 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz' 2026-02-10T11:43:08,572 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz' 2026-02-10T11:43:08,574 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz' 2026-02-10T11:43:08,575 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz' 2026-02-10T11:43:08,576 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz' 2026-02-10T11:43:08,577 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz' 2026-02-10T11:43:08,578 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz' 2026-02-10T11:43:08,580 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz' 2026-02-10T11:43:08,581 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz' 2026-02-10T11:43:08,582 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz' 2026-02-10T11:43:08,584 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz' 2026-02-10T11:43:08,585 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz' 2026-02-10T11:43:08,586 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz' 2026-02-10T11:43:08,587 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz' 2026-02-10T11:43:08,589 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz' 2026-02-10T11:43:08,590 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz' 2026-02-10T11:43:08,591 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz' 2026-02-10T11:43:08,593 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz' 2026-02-10T11:43:08,594 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz' 2026-02-10T11:43:08,595 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz' 2026-02-10T11:43:08,596 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz' 2026-02-10T11:43:08,597 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz' 2026-02-10T11:43:08,599 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz' 2026-02-10T11:43:08,600 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz' 2026-02-10T11:43:08,601 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz' 2026-02-10T11:43:08,603 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz' 2026-02-10T11:43:08,604 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz' 2026-02-10T11:43:08,605 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz' 2026-02-10T11:43:08,607 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz' 2026-02-10T11:43:08,608 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz' 2026-02-10T11:43:08,609 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz' 2026-02-10T11:43:08,610 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz' 2026-02-10T11:43:08,611 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz' 2026-02-10T11:43:08,612 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz' 2026-02-10T11:43:08,613 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz' 2026-02-10T11:43:08,615 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz' 2026-02-10T11:43:08,616 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz' 2026-02-10T11:43:08,617 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz' 2026-02-10T11:43:08,618 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz' 2026-02-10T11:43:08,619 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz' 2026-02-10T11:43:08,621 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz' 2026-02-10T11:43:08,622 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz' 2026-02-10T11:43:08,623 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz' 2026-02-10T11:43:08,624 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz' 2026-02-10T11:43:08,625 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz' 2026-02-10T11:43:08,626 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz' 2026-02-10T11:43:08,628 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz' 2026-02-10T11:43:08,629 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz' 2026-02-10T11:43:08,630 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz' 2026-02-10T11:43:08,631 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz' 2026-02-10T11:43:08,632 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz' 2026-02-10T11:43:08,633 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz' 2026-02-10T11:43:08,635 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz' 2026-02-10T11:43:08,636 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz' 2026-02-10T11:43:08,637 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz' 2026-02-10T11:43:08,638 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz' 2026-02-10T11:43:08,640 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz' 2026-02-10T11:43:08,641 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz' 2026-02-10T11:43:08,642 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz' 2026-02-10T11:43:08,643 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz' 2026-02-10T11:43:08,644 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz' 2026-02-10T11:43:08,646 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz' 2026-02-10T11:43:08,647 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz' 2026-02-10T11:43:08,648 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz' 2026-02-10T11:43:08,649 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz' 2026-02-10T11:43:08,650 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz' 2026-02-10T11:43:08,651 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz' 2026-02-10T11:43:08,653 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz' 2026-02-10T11:43:08,654 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz' 2026-02-10T11:43:08,655 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz' 2026-02-10T11:43:08,656 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz' 2026-02-10T11:43:08,657 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz' 2026-02-10T11:43:08,658 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz' 2026-02-10T11:43:08,659 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz' 2026-02-10T11:43:08,660 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz' 2026-02-10T11:43:08,662 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz' 2026-02-10T11:43:08,663 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz' 2026-02-10T11:43:08,664 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz' 2026-02-10T11:43:08,665 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz' 2026-02-10T11:43:08,666 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz' 2026-02-10T11:43:08,667 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz' 2026-02-10T11:43:08,668 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz' 2026-02-10T11:43:08,670 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz' 2026-02-10T11:43:08,671 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz' 2026-02-10T11:43:08,672 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz' 2026-02-10T11:43:08,673 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz' 2026-02-10T11:43:08,675 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz' 2026-02-10T11:43:08,676 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz' 2026-02-10T11:43:08,677 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz' 2026-02-10T11:43:08,678 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz' 2026-02-10T11:43:08,679 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz' 2026-02-10T11:43:08,681 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz' 2026-02-10T11:43:08,682 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz' 2026-02-10T11:43:08,683 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz' 2026-02-10T11:43:08,684 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz' 2026-02-10T11:43:08,685 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz' 2026-02-10T11:43:08,687 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz' 2026-02-10T11:43:08,688 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz' 2026-02-10T11:43:08,689 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz' 2026-02-10T11:43:08,690 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz' 2026-02-10T11:43:08,691 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz' 2026-02-10T11:43:08,693 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz' 2026-02-10T11:43:08,694 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz' 2026-02-10T11:43:08,695 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz' 2026-02-10T11:43:08,696 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz' 2026-02-10T11:43:08,697 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz' 2026-02-10T11:43:08,698 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz' 2026-02-10T11:43:08,700 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz' 2026-02-10T11:43:08,701 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz' 2026-02-10T11:43:08,702 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz' 2026-02-10T11:43:08,703 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz' 2026-02-10T11:43:08,704 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz' 2026-02-10T11:43:08,705 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz' 2026-02-10T11:43:08,706 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz' 2026-02-10T11:43:08,707 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz' 2026-02-10T11:43:08,708 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz' 2026-02-10T11:43:08,710 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz' 2026-02-10T11:43:08,711 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz' 2026-02-10T11:43:08,712 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz' 2026-02-10T11:43:08,713 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz' 2026-02-10T11:43:08,714 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz' 2026-02-10T11:43:08,715 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz' 2026-02-10T11:43:08,716 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz' 2026-02-10T11:43:08,717 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz' 2026-02-10T11:43:08,719 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz' 2026-02-10T11:43:08,720 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz' 2026-02-10T11:43:08,721 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz' 2026-02-10T11:43:08,722 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz' 2026-02-10T11:43:08,723 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz' 2026-02-10T11:43:08,724 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz' 2026-02-10T11:43:08,726 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz' 2026-02-10T11:43:08,727 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz' 2026-02-10T11:43:08,728 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz' 2026-02-10T11:43:08,729 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz' 2026-02-10T11:43:08,730 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz' 2026-02-10T11:43:08,732 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz' 2026-02-10T11:43:08,733 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz' 2026-02-10T11:43:08,734 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz' 2026-02-10T11:43:08,735 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz' 2026-02-10T11:43:08,736 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz' 2026-02-10T11:43:08,738 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz' 2026-02-10T11:43:08,739 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz' 2026-02-10T11:43:08,740 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz' 2026-02-10T11:43:08,741 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz' 2026-02-10T11:43:08,742 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz' 2026-02-10T11:43:08,743 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz' 2026-02-10T11:43:08,744 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz' 2026-02-10T11:43:08,745 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz' 2026-02-10T11:43:08,747 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz' 2026-02-10T11:43:08,748 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz' 2026-02-10T11:43:08,749 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz' 2026-02-10T11:43:08,750 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz' 2026-02-10T11:43:08,751 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz' 2026-02-10T11:43:08,752 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz' 2026-02-10T11:43:08,754 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz' 2026-02-10T11:43:08,755 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz' 2026-02-10T11:43:08,756 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz' 2026-02-10T11:43:08,757 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz' 2026-02-10T11:43:08,758 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz' 2026-02-10T11:43:08,759 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz' 2026-02-10T11:43:08,760 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz' 2026-02-10T11:43:08,762 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz' 2026-02-10T11:43:08,763 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz' 2026-02-10T11:43:08,764 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz' 2026-02-10T11:43:08,765 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz' 2026-02-10T11:43:08,767 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz' 2026-02-10T11:43:08,768 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz' 2026-02-10T11:43:08,769 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz' 2026-02-10T11:43:08,770 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz' 2026-02-10T11:43:08,771 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz' 2026-02-10T11:43:08,772 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz' 2026-02-10T11:43:08,774 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz' 2026-02-10T11:43:08,775 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz' 2026-02-10T11:43:08,776 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz' 2026-02-10T11:43:08,777 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz' 2026-02-10T11:43:08,778 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz' 2026-02-10T11:43:08,779 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz' 2026-02-10T11:43:08,781 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz' 2026-02-10T11:43:08,782 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz' 2026-02-10T11:43:08,783 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz' 2026-02-10T11:43:08,784 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz' 2026-02-10T11:43:08,785 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz' 2026-02-10T11:43:08,786 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz' 2026-02-10T11:43:08,788 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz' 2026-02-10T11:43:08,789 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz' 2026-02-10T11:43:08,790 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz' 2026-02-10T11:43:08,791 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz' 2026-02-10T11:43:08,792 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz' 2026-02-10T11:43:08,793 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz' 2026-02-10T11:43:08,794 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz' 2026-02-10T11:43:08,795 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz' 2026-02-10T11:43:08,797 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz' 2026-02-10T11:43:08,798 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz' 2026-02-10T11:43:08,799 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz' 2026-02-10T11:43:08,800 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz' 2026-02-10T11:43:08,801 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz' 2026-02-10T11:43:08,802 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz' 2026-02-10T11:43:08,804 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz' 2026-02-10T11:43:08,805 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz' 2026-02-10T11:43:08,806 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz' 2026-02-10T11:43:08,807 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz' 2026-02-10T11:43:08,808 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz' 2026-02-10T11:43:08,810 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz' 2026-02-10T11:43:08,811 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz' 2026-02-10T11:43:08,812 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz' 2026-02-10T11:43:08,813 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz' 2026-02-10T11:43:08,814 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz' 2026-02-10T11:43:08,815 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz' 2026-02-10T11:43:08,817 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz' 2026-02-10T11:43:08,818 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz' 2026-02-10T11:43:08,819 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz' 2026-02-10T11:43:08,820 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz' 2026-02-10T11:43:08,821 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz' 2026-02-10T11:43:08,823 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz' 2026-02-10T11:43:08,824 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz' 2026-02-10T11:43:08,825 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz' 2026-02-10T11:43:08,826 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz' 2026-02-10T11:43:08,828 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz' 2026-02-10T11:43:08,830 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz' 2026-02-10T11:43:08,831 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz' 2026-02-10T11:43:08,832 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz' 2026-02-10T11:43:08,833 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz' 2026-02-10T11:43:08,834 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz' 2026-02-10T11:43:08,835 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz' 2026-02-10T11:43:08,836 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz' 2026-02-10T11:43:08,837 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz' 2026-02-10T11:43:08,839 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz' 2026-02-10T11:43:08,840 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz' 2026-02-10T11:43:08,841 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz' 2026-02-10T11:43:08,842 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz' 2026-02-10T11:43:08,843 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz' 2026-02-10T11:43:08,845 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz' 2026-02-10T11:43:08,846 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz' 2026-02-10T11:43:08,847 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz' 2026-02-10T11:43:08,848 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz' 2026-02-10T11:43:08,849 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz' 2026-02-10T11:43:08,850 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz' 2026-02-10T11:43:08,851 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz' 2026-02-10T11:43:08,853 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz' 2026-02-10T11:43:08,854 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz' 2026-02-10T11:43:08,857 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,858 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,859 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,860 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,862 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,863 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,864 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,865 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,866 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,868 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,869 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,870 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,871 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,872 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,874 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,875 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,876 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,878 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,879 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,880 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,881 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,882 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,883 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,884 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,885 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,887 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,888 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,889 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,890 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,891 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,892 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,894 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,895 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,896 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,897 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,899 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,900 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,902 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,903 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,905 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,906 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,907 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,909 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,911 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,912 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,913 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,915 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,917 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:08,920 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz' 2026-02-10T11:43:08,921 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz' 2026-02-10T11:43:08,923 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz' 2026-02-10T11:43:08,925 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz' 2026-02-10T11:43:08,926 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz' 2026-02-10T11:43:08,928 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz' 2026-02-10T11:43:08,929 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz' 2026-02-10T11:43:08,930 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz' 2026-02-10T11:43:08,932 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz' 2026-02-10T11:43:08,933 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz' 2026-02-10T11:43:08,935 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz' 2026-02-10T11:43:08,936 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz' 2026-02-10T11:43:08,938 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz' 2026-02-10T11:43:08,939 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz' 2026-02-10T11:43:08,940 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz' 2026-02-10T11:43:08,942 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz' 2026-02-10T11:43:08,943 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz' 2026-02-10T11:43:08,945 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz' 2026-02-10T11:43:08,946 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz' 2026-02-10T11:43:08,948 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz' 2026-02-10T11:43:08,949 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz' 2026-02-10T11:43:08,951 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz' 2026-02-10T11:43:08,952 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz' 2026-02-10T11:43:08,954 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz' 2026-02-10T11:43:08,955 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz' 2026-02-10T11:43:08,957 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz' 2026-02-10T11:43:08,958 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz' 2026-02-10T11:43:08,960 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz' 2026-02-10T11:43:08,961 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz' 2026-02-10T11:43:08,963 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz' 2026-02-10T11:43:08,964 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz' 2026-02-10T11:43:08,965 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz' 2026-02-10T11:43:08,967 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz' 2026-02-10T11:43:08,968 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz' 2026-02-10T11:43:08,970 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz' 2026-02-10T11:43:08,971 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz' 2026-02-10T11:43:08,972 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz' 2026-02-10T11:43:08,974 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz' 2026-02-10T11:43:08,975 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz' 2026-02-10T11:43:08,977 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz' 2026-02-10T11:43:08,978 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz' 2026-02-10T11:43:08,980 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz' 2026-02-10T11:43:08,981 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz' 2026-02-10T11:43:08,982 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz' 2026-02-10T11:43:08,984 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz' 2026-02-10T11:43:08,985 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz' 2026-02-10T11:43:08,987 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz' 2026-02-10T11:43:08,988 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz' 2026-02-10T11:43:08,990 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz' 2026-02-10T11:43:08,991 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz' 2026-02-10T11:43:08,993 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz' 2026-02-10T11:43:08,995 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz' 2026-02-10T11:43:08,996 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz' 2026-02-10T11:43:08,998 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz' 2026-02-10T11:43:08,999 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz' 2026-02-10T11:43:09,000 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz' 2026-02-10T11:43:09,001 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz' 2026-02-10T11:43:09,002 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz' 2026-02-10T11:43:09,003 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz' 2026-02-10T11:43:09,004 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz' 2026-02-10T11:43:09,007 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz' 2026-02-10T11:43:09,008 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz' 2026-02-10T11:43:09,009 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz' 2026-02-10T11:43:09,010 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz' 2026-02-10T11:43:09,011 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz' 2026-02-10T11:43:09,012 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz' 2026-02-10T11:43:09,013 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz' 2026-02-10T11:43:09,015 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz' 2026-02-10T11:43:09,016 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz' 2026-02-10T11:43:09,017 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz' 2026-02-10T11:43:09,018 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz' 2026-02-10T11:43:09,019 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz' 2026-02-10T11:43:09,020 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz' 2026-02-10T11:43:09,022 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz' 2026-02-10T11:43:09,023 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz' 2026-02-10T11:43:09,024 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz' 2026-02-10T11:43:09,025 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz' 2026-02-10T11:43:09,026 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz' 2026-02-10T11:43:09,027 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz' 2026-02-10T11:43:09,029 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz' 2026-02-10T11:43:09,030 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz' 2026-02-10T11:43:09,031 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz' 2026-02-10T11:43:09,032 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz' 2026-02-10T11:43:09,033 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz' 2026-02-10T11:43:09,035 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz' 2026-02-10T11:43:09,036 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz' 2026-02-10T11:43:09,037 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz' 2026-02-10T11:43:09,038 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz' 2026-02-10T11:43:09,039 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz' 2026-02-10T11:43:09,041 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz' 2026-02-10T11:43:09,042 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz' 2026-02-10T11:43:09,043 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz' 2026-02-10T11:43:09,044 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz' 2026-02-10T11:43:09,045 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz' 2026-02-10T11:43:09,047 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz' 2026-02-10T11:43:09,048 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz' 2026-02-10T11:43:09,049 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz' 2026-02-10T11:43:09,050 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz' 2026-02-10T11:43:09,051 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz' 2026-02-10T11:43:09,052 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz' 2026-02-10T11:43:09,055 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz' 2026-02-10T11:43:09,056 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz' 2026-02-10T11:43:09,057 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz' 2026-02-10T11:43:09,058 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz' 2026-02-10T11:43:09,059 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz' 2026-02-10T11:43:09,060 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz' 2026-02-10T11:43:09,061 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz' 2026-02-10T11:43:09,062 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz' 2026-02-10T11:43:09,063 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz' 2026-02-10T11:43:09,065 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz' 2026-02-10T11:43:09,066 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz' 2026-02-10T11:43:09,067 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz' 2026-02-10T11:43:09,068 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz' 2026-02-10T11:43:09,069 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz' 2026-02-10T11:43:09,070 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz' 2026-02-10T11:43:09,071 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz' 2026-02-10T11:43:09,072 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz' 2026-02-10T11:43:09,073 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz' 2026-02-10T11:43:09,075 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz' 2026-02-10T11:43:09,076 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz' 2026-02-10T11:43:09,077 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz' 2026-02-10T11:43:09,078 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz' 2026-02-10T11:43:09,080 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz' 2026-02-10T11:43:09,081 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz' 2026-02-10T11:43:09,082 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz' 2026-02-10T11:43:09,083 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz' 2026-02-10T11:43:09,084 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz' 2026-02-10T11:43:09,085 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz' 2026-02-10T11:43:09,086 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz' 2026-02-10T11:43:09,088 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz' 2026-02-10T11:43:09,089 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz' 2026-02-10T11:43:09,090 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz' 2026-02-10T11:43:09,091 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz' 2026-02-10T11:43:09,093 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz' 2026-02-10T11:43:09,094 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz' 2026-02-10T11:43:09,095 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz' 2026-02-10T11:43:09,096 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz' 2026-02-10T11:43:09,097 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz' 2026-02-10T11:43:09,099 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz' 2026-02-10T11:43:09,100 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz' 2026-02-10T11:43:09,101 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz' 2026-02-10T11:43:09,102 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz' 2026-02-10T11:43:09,103 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz' 2026-02-10T11:43:09,104 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz' 2026-02-10T11:43:09,105 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz' 2026-02-10T11:43:09,106 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz' 2026-02-10T11:43:09,107 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz' 2026-02-10T11:43:09,108 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz' 2026-02-10T11:43:09,109 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz' 2026-02-10T11:43:09,110 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz' 2026-02-10T11:43:09,112 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz' 2026-02-10T11:43:09,113 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz' 2026-02-10T11:43:09,114 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz' 2026-02-10T11:43:09,115 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz' 2026-02-10T11:43:09,116 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz' 2026-02-10T11:43:09,117 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz' 2026-02-10T11:43:09,118 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz' 2026-02-10T11:43:09,119 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz' 2026-02-10T11:43:09,121 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz' 2026-02-10T11:43:09,122 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz' 2026-02-10T11:43:09,123 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz' 2026-02-10T11:43:09,125 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz' 2026-02-10T11:43:09,126 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz' 2026-02-10T11:43:09,127 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz' 2026-02-10T11:43:09,128 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz' 2026-02-10T11:43:09,130 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz' 2026-02-10T11:43:09,131 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz' 2026-02-10T11:43:09,132 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz' 2026-02-10T11:43:09,133 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz' 2026-02-10T11:43:09,135 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz' 2026-02-10T11:43:09,136 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz' 2026-02-10T11:43:09,138 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz' 2026-02-10T11:43:09,140 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz' 2026-02-10T11:43:09,141 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz' 2026-02-10T11:43:09,142 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz' 2026-02-10T11:43:09,143 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz' 2026-02-10T11:43:09,145 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz' 2026-02-10T11:43:09,146 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz' 2026-02-10T11:43:09,147 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz' 2026-02-10T11:43:09,148 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz' 2026-02-10T11:43:09,149 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz' 2026-02-10T11:43:09,151 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz' 2026-02-10T11:43:09,152 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz' 2026-02-10T11:43:09,153 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz' 2026-02-10T11:43:09,154 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz' 2026-02-10T11:43:09,155 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz' 2026-02-10T11:43:09,156 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz' 2026-02-10T11:43:09,157 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz' 2026-02-10T11:43:09,158 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz' 2026-02-10T11:43:09,159 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz' 2026-02-10T11:43:09,160 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz' 2026-02-10T11:43:09,161 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz' 2026-02-10T11:43:09,163 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz' 2026-02-10T11:43:09,164 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz' 2026-02-10T11:43:09,165 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz' 2026-02-10T11:43:09,166 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz' 2026-02-10T11:43:09,167 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz' 2026-02-10T11:43:09,168 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz' 2026-02-10T11:43:09,169 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz' 2026-02-10T11:43:09,170 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz' 2026-02-10T11:43:09,171 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz' 2026-02-10T11:43:09,173 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz' 2026-02-10T11:43:09,174 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz' 2026-02-10T11:43:09,175 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz' 2026-02-10T11:43:09,176 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz' 2026-02-10T11:43:09,177 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz' 2026-02-10T11:43:09,178 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz' 2026-02-10T11:43:09,179 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz' 2026-02-10T11:43:09,180 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz' 2026-02-10T11:43:09,181 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz' 2026-02-10T11:43:09,183 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz' 2026-02-10T11:43:09,184 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz' 2026-02-10T11:43:09,187 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz' 2026-02-10T11:43:09,189 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz' 2026-02-10T11:43:09,190 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz' 2026-02-10T11:43:09,191 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz' 2026-02-10T11:43:09,192 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz' 2026-02-10T11:43:09,193 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz' 2026-02-10T11:43:09,195 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz' 2026-02-10T11:43:09,196 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz' 2026-02-10T11:43:09,197 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz' 2026-02-10T11:43:09,198 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz' 2026-02-10T11:43:09,200 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz' 2026-02-10T11:43:09,201 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz' 2026-02-10T11:43:09,202 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz' 2026-02-10T11:43:09,203 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz' 2026-02-10T11:43:09,204 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz' 2026-02-10T11:43:09,206 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz' 2026-02-10T11:43:09,207 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz' 2026-02-10T11:43:09,208 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz' 2026-02-10T11:43:09,209 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz' 2026-02-10T11:43:09,211 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz' 2026-02-10T11:43:09,212 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz' 2026-02-10T11:43:09,213 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz' 2026-02-10T11:43:09,214 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz' 2026-02-10T11:43:09,215 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz' 2026-02-10T11:43:09,217 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz' 2026-02-10T11:43:09,218 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz' 2026-02-10T11:43:09,219 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz' 2026-02-10T11:43:09,220 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz' 2026-02-10T11:43:09,221 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz' 2026-02-10T11:43:09,222 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz' 2026-02-10T11:43:09,223 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz' 2026-02-10T11:43:09,225 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz' 2026-02-10T11:43:09,226 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz' 2026-02-10T11:43:09,227 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz' 2026-02-10T11:43:09,228 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz' 2026-02-10T11:43:09,229 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz' 2026-02-10T11:43:09,230 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz' 2026-02-10T11:43:09,232 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz' 2026-02-10T11:43:09,233 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz' 2026-02-10T11:43:09,234 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz' 2026-02-10T11:43:09,235 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz' 2026-02-10T11:43:09,236 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz' 2026-02-10T11:43:09,237 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz' 2026-02-10T11:43:09,239 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz' 2026-02-10T11:43:09,240 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz' 2026-02-10T11:43:09,241 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz' 2026-02-10T11:43:09,242 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz' 2026-02-10T11:43:09,243 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz' 2026-02-10T11:43:09,245 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz' 2026-02-10T11:43:09,246 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz' 2026-02-10T11:43:09,247 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz' 2026-02-10T11:43:09,248 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz' 2026-02-10T11:43:09,250 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz' 2026-02-10T11:43:09,251 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz' 2026-02-10T11:43:09,252 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz' 2026-02-10T11:43:09,253 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz' 2026-02-10T11:43:09,254 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz' 2026-02-10T11:43:09,256 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz' 2026-02-10T11:43:09,257 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz' 2026-02-10T11:43:09,258 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz' 2026-02-10T11:43:09,259 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz' 2026-02-10T11:43:09,261 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz' 2026-02-10T11:43:09,262 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz' 2026-02-10T11:43:09,263 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz' 2026-02-10T11:43:09,264 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz' 2026-02-10T11:43:09,265 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz' 2026-02-10T11:43:09,266 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz' 2026-02-10T11:43:09,267 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz' 2026-02-10T11:43:09,268 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz' 2026-02-10T11:43:09,269 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz' 2026-02-10T11:43:09,270 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz' 2026-02-10T11:43:09,272 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz' 2026-02-10T11:43:09,273 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz' 2026-02-10T11:43:09,274 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz' 2026-02-10T11:43:09,275 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz' 2026-02-10T11:43:09,276 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz' 2026-02-10T11:43:09,277 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz' 2026-02-10T11:43:09,278 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz' 2026-02-10T11:43:09,280 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz' 2026-02-10T11:43:09,283 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz' 2026-02-10T11:43:09,286 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz' 2026-02-10T11:43:09,287 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz' 2026-02-10T11:43:09,288 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz' 2026-02-10T11:43:09,290 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz' 2026-02-10T11:43:09,292 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz' 2026-02-10T11:43:09,293 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz' 2026-02-10T11:43:09,295 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz' 2026-02-10T11:43:09,296 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz' 2026-02-10T11:43:09,298 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz' 2026-02-10T11:43:09,299 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz' 2026-02-10T11:43:09,301 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz' 2026-02-10T11:43:09,302 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz' 2026-02-10T11:43:09,303 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz' 2026-02-10T11:43:09,305 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz' 2026-02-10T11:43:09,306 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz' 2026-02-10T11:43:09,308 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz' 2026-02-10T11:43:09,309 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz' 2026-02-10T11:43:09,310 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz' 2026-02-10T11:43:09,312 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz' 2026-02-10T11:43:09,313 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz' 2026-02-10T11:43:09,315 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz' 2026-02-10T11:43:09,316 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz' 2026-02-10T11:43:09,317 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz' 2026-02-10T11:43:09,319 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz' 2026-02-10T11:43:09,320 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz' 2026-02-10T11:43:09,322 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz' 2026-02-10T11:43:09,324 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz' 2026-02-10T11:43:09,326 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz' 2026-02-10T11:43:09,327 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz' 2026-02-10T11:43:09,329 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz' 2026-02-10T11:43:09,330 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz' 2026-02-10T11:43:09,332 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz' 2026-02-10T11:43:09,333 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz' 2026-02-10T11:43:09,335 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz' 2026-02-10T11:43:09,336 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz' 2026-02-10T11:43:09,337 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz' 2026-02-10T11:43:09,339 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz' 2026-02-10T11:43:09,340 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz' 2026-02-10T11:43:09,342 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz' 2026-02-10T11:43:09,343 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz' 2026-02-10T11:43:09,347 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz' 2026-02-10T11:43:09,348 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz' 2026-02-10T11:43:09,349 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz' 2026-02-10T11:43:09,351 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz' 2026-02-10T11:43:09,352 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz' 2026-02-10T11:43:09,353 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz' 2026-02-10T11:43:09,355 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz' 2026-02-10T11:43:09,356 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz' 2026-02-10T11:43:09,358 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz' 2026-02-10T11:43:09,359 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz' 2026-02-10T11:43:09,360 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz' 2026-02-10T11:43:09,362 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz' 2026-02-10T11:43:09,363 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz' 2026-02-10T11:43:09,365 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz' 2026-02-10T11:43:09,366 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz' 2026-02-10T11:43:09,368 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz' 2026-02-10T11:43:09,369 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz' 2026-02-10T11:43:09,370 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz' 2026-02-10T11:43:09,372 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz' 2026-02-10T11:43:09,373 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz' 2026-02-10T11:43:09,374 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz' 2026-02-10T11:43:09,376 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz' 2026-02-10T11:43:09,377 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz' 2026-02-10T11:43:09,378 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz' 2026-02-10T11:43:09,380 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz' 2026-02-10T11:43:09,381 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz' 2026-02-10T11:43:09,383 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz' 2026-02-10T11:43:09,384 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz' 2026-02-10T11:43:09,386 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz' 2026-02-10T11:43:09,387 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz' 2026-02-10T11:43:09,388 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz' 2026-02-10T11:43:09,390 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz' 2026-02-10T11:43:09,391 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz' 2026-02-10T11:43:09,392 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz' 2026-02-10T11:43:09,394 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz' 2026-02-10T11:43:09,395 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz' 2026-02-10T11:43:09,397 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz' 2026-02-10T11:43:09,398 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz' 2026-02-10T11:43:09,399 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz' 2026-02-10T11:43:09,401 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz' 2026-02-10T11:43:09,402 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz' 2026-02-10T11:43:09,403 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz' 2026-02-10T11:43:09,405 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz' 2026-02-10T11:43:09,407 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz' 2026-02-10T11:43:09,408 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz' 2026-02-10T11:43:09,409 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz' 2026-02-10T11:43:09,411 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz' 2026-02-10T11:43:09,412 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz' 2026-02-10T11:43:09,413 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz' 2026-02-10T11:43:09,415 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz' 2026-02-10T11:43:09,416 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz' 2026-02-10T11:43:09,417 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz' 2026-02-10T11:43:09,418 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz' 2026-02-10T11:43:09,420 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz' 2026-02-10T11:43:09,421 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz' 2026-02-10T11:43:09,422 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz' 2026-02-10T11:43:09,423 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz' 2026-02-10T11:43:09,425 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz' 2026-02-10T11:43:09,426 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz' 2026-02-10T11:43:09,427 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz' 2026-02-10T11:43:09,429 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz' 2026-02-10T11:43:09,430 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz' 2026-02-10T11:43:09,432 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz' 2026-02-10T11:43:09,433 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz' 2026-02-10T11:43:09,435 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz' 2026-02-10T11:43:09,437 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz' 2026-02-10T11:43:09,438 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz' 2026-02-10T11:43:09,440 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz' 2026-02-10T11:43:09,442 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz' 2026-02-10T11:43:09,444 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz' 2026-02-10T11:43:09,446 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz' 2026-02-10T11:43:09,447 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz' 2026-02-10T11:43:09,449 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz' 2026-02-10T11:43:09,451 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz' 2026-02-10T11:43:09,452 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz' 2026-02-10T11:43:09,454 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz' 2026-02-10T11:43:09,455 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz' 2026-02-10T11:43:09,457 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz' 2026-02-10T11:43:09,459 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz' 2026-02-10T11:43:09,460 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz' 2026-02-10T11:43:09,462 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz' 2026-02-10T11:43:09,463 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz' 2026-02-10T11:43:09,465 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz' 2026-02-10T11:43:09,466 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz' 2026-02-10T11:43:09,468 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz' 2026-02-10T11:43:09,470 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz' 2026-02-10T11:43:09,471 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz' 2026-02-10T11:43:09,473 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz' 2026-02-10T11:43:09,474 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz' 2026-02-10T11:43:09,476 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz' 2026-02-10T11:43:09,478 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz' 2026-02-10T11:43:09,479 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz' 2026-02-10T11:43:09,483 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz' 2026-02-10T11:43:09,488 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz' 2026-02-10T11:43:09,491 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz' 2026-02-10T11:43:09,494 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz' 2026-02-10T11:43:09,496 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz' 2026-02-10T11:43:09,499 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz' 2026-02-10T11:43:09,501 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz' 2026-02-10T11:43:09,502 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz' 2026-02-10T11:43:09,504 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz' 2026-02-10T11:43:09,505 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz' 2026-02-10T11:43:09,507 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz' 2026-02-10T11:43:09,509 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz' 2026-02-10T11:43:09,510 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz' 2026-02-10T11:43:09,512 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz' 2026-02-10T11:43:09,513 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz' 2026-02-10T11:43:09,515 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz' 2026-02-10T11:43:09,517 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz' 2026-02-10T11:43:09,518 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz' 2026-02-10T11:43:09,520 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz' 2026-02-10T11:43:09,523 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz' 2026-02-10T11:43:09,531 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz' 2026-02-10T11:43:09,533 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz' 2026-02-10T11:43:09,535 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz' 2026-02-10T11:43:09,537 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz' 2026-02-10T11:43:09,539 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz' 2026-02-10T11:43:09,541 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz' 2026-02-10T11:43:09,543 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz' 2026-02-10T11:43:09,545 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz' 2026-02-10T11:43:09,547 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz' 2026-02-10T11:43:09,548 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz' 2026-02-10T11:43:09,549 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz' 2026-02-10T11:43:09,551 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz' 2026-02-10T11:43:09,552 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz' 2026-02-10T11:43:09,554 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz' 2026-02-10T11:43:09,555 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz' 2026-02-10T11:43:09,557 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz' 2026-02-10T11:43:09,558 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz' 2026-02-10T11:43:09,559 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz' 2026-02-10T11:43:09,561 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz' 2026-02-10T11:43:09,562 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz' 2026-02-10T11:43:09,564 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz' 2026-02-10T11:43:09,565 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz' 2026-02-10T11:43:09,566 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz' 2026-02-10T11:43:09,568 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz' 2026-02-10T11:43:09,569 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz' 2026-02-10T11:43:09,570 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz' 2026-02-10T11:43:09,571 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz' 2026-02-10T11:43:09,572 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz' 2026-02-10T11:43:09,573 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz' 2026-02-10T11:43:09,574 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz' 2026-02-10T11:43:09,576 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz' 2026-02-10T11:43:09,577 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz' 2026-02-10T11:43:09,578 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz' 2026-02-10T11:43:09,579 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz' 2026-02-10T11:43:09,580 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz' 2026-02-10T11:43:09,582 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz' 2026-02-10T11:43:09,583 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz' 2026-02-10T11:43:09,584 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz' 2026-02-10T11:43:09,585 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz' 2026-02-10T11:43:09,586 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz' 2026-02-10T11:43:09,588 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz' 2026-02-10T11:43:09,589 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz' 2026-02-10T11:43:09,590 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz' 2026-02-10T11:43:09,591 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz' 2026-02-10T11:43:09,592 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz' 2026-02-10T11:43:09,594 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz' 2026-02-10T11:43:09,596 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz' 2026-02-10T11:43:09,599 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz' 2026-02-10T11:43:09,603 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz' 2026-02-10T11:43:09,607 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz' 2026-02-10T11:43:09,611 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz' 2026-02-10T11:43:09,615 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz' 2026-02-10T11:43:09,618 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz' 2026-02-10T11:43:09,619 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz' 2026-02-10T11:43:09,621 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz' 2026-02-10T11:43:09,623 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz' 2026-02-10T11:43:09,625 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz' 2026-02-10T11:43:09,627 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz' 2026-02-10T11:43:09,628 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz' 2026-02-10T11:43:09,629 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz' 2026-02-10T11:43:09,630 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz' 2026-02-10T11:43:09,632 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz' 2026-02-10T11:43:09,635 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz' 2026-02-10T11:43:09,637 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz' 2026-02-10T11:43:09,639 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz' 2026-02-10T11:43:09,640 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz' 2026-02-10T11:43:09,642 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz' 2026-02-10T11:43:09,643 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz' 2026-02-10T11:43:09,645 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz' 2026-02-10T11:43:09,647 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz' 2026-02-10T11:43:09,648 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz' 2026-02-10T11:43:09,650 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz' 2026-02-10T11:43:09,651 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz' 2026-02-10T11:43:09,652 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz' 2026-02-10T11:43:09,653 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz' 2026-02-10T11:43:09,654 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz' 2026-02-10T11:43:09,655 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz' 2026-02-10T11:43:09,657 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz' 2026-02-10T11:43:09,658 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz' 2026-02-10T11:43:09,659 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz' 2026-02-10T11:43:09,660 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz' 2026-02-10T11:43:09,661 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz' 2026-02-10T11:43:09,663 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz' 2026-02-10T11:43:09,664 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz' 2026-02-10T11:43:09,665 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz' 2026-02-10T11:43:09,666 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz' 2026-02-10T11:43:09,667 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz' 2026-02-10T11:43:09,669 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz' 2026-02-10T11:43:09,670 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz' 2026-02-10T11:43:09,671 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz' 2026-02-10T11:43:09,672 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz' 2026-02-10T11:43:09,673 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz' 2026-02-10T11:43:09,674 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz' 2026-02-10T11:43:09,675 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz' 2026-02-10T11:43:09,676 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz' 2026-02-10T11:43:09,677 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz' 2026-02-10T11:43:09,678 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz' 2026-02-10T11:43:09,680 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz' 2026-02-10T11:43:09,681 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz' 2026-02-10T11:43:09,682 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz' 2026-02-10T11:43:09,683 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz' 2026-02-10T11:43:09,684 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz' 2026-02-10T11:43:09,685 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz' 2026-02-10T11:43:09,687 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz' 2026-02-10T11:43:09,688 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz' 2026-02-10T11:43:09,689 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz' 2026-02-10T11:43:09,690 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz' 2026-02-10T11:43:09,691 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz' 2026-02-10T11:43:09,693 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz' 2026-02-10T11:43:09,694 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz' 2026-02-10T11:43:09,695 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz' 2026-02-10T11:43:09,696 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz' 2026-02-10T11:43:09,697 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz' 2026-02-10T11:43:09,699 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz' 2026-02-10T11:43:09,701 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz' 2026-02-10T11:43:09,702 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz' 2026-02-10T11:43:09,704 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz' 2026-02-10T11:43:09,705 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz' 2026-02-10T11:43:09,707 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz' 2026-02-10T11:43:09,709 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz' 2026-02-10T11:43:09,713 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz' 2026-02-10T11:43:09,714 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz' 2026-02-10T11:43:09,715 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz' 2026-02-10T11:43:09,717 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz' 2026-02-10T11:43:09,719 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz' 2026-02-10T11:43:09,720 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz' 2026-02-10T11:43:09,722 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz' 2026-02-10T11:43:09,723 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz' 2026-02-10T11:43:09,724 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz' 2026-02-10T11:43:09,726 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz' 2026-02-10T11:43:09,727 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz' 2026-02-10T11:43:09,728 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz' 2026-02-10T11:43:09,729 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz' 2026-02-10T11:43:09,731 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz' 2026-02-10T11:43:09,732 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz' 2026-02-10T11:43:09,733 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz' 2026-02-10T11:43:09,735 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz' 2026-02-10T11:43:09,736 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz' 2026-02-10T11:43:09,737 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz' 2026-02-10T11:43:09,738 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz' 2026-02-10T11:43:09,739 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz' 2026-02-10T11:43:09,740 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz' 2026-02-10T11:43:09,741 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz' 2026-02-10T11:43:09,742 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz' 2026-02-10T11:43:09,744 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz' 2026-02-10T11:43:09,745 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz' 2026-02-10T11:43:09,746 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz' 2026-02-10T11:43:09,747 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz' 2026-02-10T11:43:09,748 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz' 2026-02-10T11:43:09,750 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz' 2026-02-10T11:43:09,751 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz' 2026-02-10T11:43:09,752 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz' 2026-02-10T11:43:09,753 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz' 2026-02-10T11:43:09,754 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz' 2026-02-10T11:43:09,756 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz' 2026-02-10T11:43:09,757 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz' 2026-02-10T11:43:09,759 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz' 2026-02-10T11:43:09,760 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz' 2026-02-10T11:43:09,761 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz' 2026-02-10T11:43:09,762 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz' 2026-02-10T11:43:09,763 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz' 2026-02-10T11:43:09,764 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz' 2026-02-10T11:43:09,766 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz' 2026-02-10T11:43:09,767 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz' 2026-02-10T11:43:09,768 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz' 2026-02-10T11:43:09,769 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz' 2026-02-10T11:43:09,770 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz' 2026-02-10T11:43:09,771 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz' 2026-02-10T11:43:09,772 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz' 2026-02-10T11:43:09,773 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz' 2026-02-10T11:43:09,776 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz' 2026-02-10T11:43:09,777 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz' 2026-02-10T11:43:09,778 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz' 2026-02-10T11:43:09,779 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz' 2026-02-10T11:43:09,780 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz' 2026-02-10T11:43:09,782 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz' 2026-02-10T11:43:09,783 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz' 2026-02-10T11:43:09,784 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz' 2026-02-10T11:43:09,785 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz' 2026-02-10T11:43:09,786 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz' 2026-02-10T11:43:09,787 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz' 2026-02-10T11:43:09,788 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz' 2026-02-10T11:43:09,789 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz' 2026-02-10T11:43:09,790 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz' 2026-02-10T11:43:09,792 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz' 2026-02-10T11:43:09,793 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz' 2026-02-10T11:43:09,794 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz' 2026-02-10T11:43:09,795 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz' 2026-02-10T11:43:09,796 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz' 2026-02-10T11:43:09,797 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz' 2026-02-10T11:43:09,799 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz' 2026-02-10T11:43:09,800 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz' 2026-02-10T11:43:09,801 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz' 2026-02-10T11:43:09,802 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz' 2026-02-10T11:43:09,803 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz' 2026-02-10T11:43:09,804 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz' 2026-02-10T11:43:09,805 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz' 2026-02-10T11:43:09,806 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz' 2026-02-10T11:43:09,808 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz' 2026-02-10T11:43:09,809 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz' 2026-02-10T11:43:09,810 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz' 2026-02-10T11:43:09,812 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz' 2026-02-10T11:43:09,813 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz' 2026-02-10T11:43:09,815 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz' 2026-02-10T11:43:09,816 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz' 2026-02-10T11:43:09,817 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz' 2026-02-10T11:43:09,819 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz' 2026-02-10T11:43:09,820 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz' 2026-02-10T11:43:09,821 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz' 2026-02-10T11:43:09,822 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz' 2026-02-10T11:43:09,823 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz' 2026-02-10T11:43:09,824 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz' 2026-02-10T11:43:09,826 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz' 2026-02-10T11:43:09,827 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz' 2026-02-10T11:43:09,828 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz' 2026-02-10T11:43:09,830 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz' 2026-02-10T11:43:09,831 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz' 2026-02-10T11:43:09,832 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz' 2026-02-10T11:43:09,833 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz' 2026-02-10T11:43:09,834 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz' 2026-02-10T11:43:09,835 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz' 2026-02-10T11:43:09,837 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz' 2026-02-10T11:43:09,838 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz' 2026-02-10T11:43:09,839 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz' 2026-02-10T11:43:09,840 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz' 2026-02-10T11:43:09,841 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz' 2026-02-10T11:43:09,842 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz' 2026-02-10T11:43:09,843 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz' 2026-02-10T11:43:09,844 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz' 2026-02-10T11:43:09,845 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz' 2026-02-10T11:43:09,846 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz' 2026-02-10T11:43:09,848 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz' 2026-02-10T11:43:09,849 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz' 2026-02-10T11:43:09,850 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz' 2026-02-10T11:43:09,851 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz' 2026-02-10T11:43:09,852 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz' 2026-02-10T11:43:09,853 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz' 2026-02-10T11:43:09,854 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz' 2026-02-10T11:43:09,855 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz' 2026-02-10T11:43:09,857 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz' 2026-02-10T11:43:09,858 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz' 2026-02-10T11:43:09,860 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz' 2026-02-10T11:43:09,861 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz' 2026-02-10T11:43:09,863 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz' 2026-02-10T11:43:09,864 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz' 2026-02-10T11:43:09,865 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz' 2026-02-10T11:43:09,871 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz' 2026-02-10T11:43:09,872 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:09,873 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:09,875 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:09,876 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:09,877 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:09,879 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:09,881 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:09,884 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:09,885 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:09,886 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:09,887 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:09,888 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:09,889 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:09,890 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:09,891 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:09,892 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:09,893 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:09,895 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:09,896 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:09,897 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:09,899 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz' 2026-02-10T11:43:09,900 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:09,901 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:09,902 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:09,903 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:09,905 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:09,906 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:09,907 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:09,908 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:09,909 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:09,910 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:09,912 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:09,913 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:09,914 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:09,915 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:09,917 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:09,918 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:09,919 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:09,920 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:09,922 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:09,923 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:09,924 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz' 2026-02-10T11:43:09,925 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:09,927 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:09,928 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:09,929 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:09,930 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:09,931 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:09,933 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:09,934 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:09,935 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:09,936 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:09,937 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:09,938 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:09,939 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:09,940 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:09,942 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:09,943 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:09,944 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:09,945 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:09,946 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:09,947 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:09,949 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz' 2026-02-10T11:43:09,950 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:09,951 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:09,953 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:09,954 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:09,955 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:09,956 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:09,957 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:09,959 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:09,960 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:09,961 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:09,963 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:09,964 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:09,965 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:09,966 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:09,968 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:09,969 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:09,970 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:09,972 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:09,973 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:09,974 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:09,976 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz' 2026-02-10T11:43:09,977 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:09,978 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:09,979 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:09,980 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:09,981 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:09,982 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:09,983 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:09,984 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:09,986 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:09,987 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:09,988 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:09,989 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:09,990 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:09,991 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:09,992 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:09,993 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:09,995 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:09,996 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:09,997 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:09,998 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:09,999 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz' 2026-02-10T11:43:10,001 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,002 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,003 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,004 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,005 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,006 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,007 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,009 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,010 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,011 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,012 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,013 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,015 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,016 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,017 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,018 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,019 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,020 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,021 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,022 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,023 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz' 2026-02-10T11:43:10,025 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,026 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,027 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,028 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,029 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,030 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,031 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,032 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,033 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,035 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,036 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,037 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,038 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,039 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,040 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,041 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,043 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,044 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,045 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,046 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,047 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz' 2026-02-10T11:43:10,049 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,050 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,051 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,052 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,053 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,054 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,056 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,057 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,058 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,059 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,061 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,062 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,063 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,064 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,065 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,066 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,067 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,068 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,069 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,070 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,072 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz' 2026-02-10T11:43:10,073 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,074 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,075 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,076 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,077 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,078 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,080 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,081 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,082 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,083 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,084 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,085 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,086 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,088 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,089 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,090 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,091 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,092 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,094 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,095 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,097 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz' 2026-02-10T11:43:10,098 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,099 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,100 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,102 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,102 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,104 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,105 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,106 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,107 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,108 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,110 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,111 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,112 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,113 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,114 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,115 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,117 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,118 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,120 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,121 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,122 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz' 2026-02-10T11:43:10,124 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz' 2026-02-10T11:43:10,126 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz' 2026-02-10T11:43:10,128 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz' 2026-02-10T11:43:10,130 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz' 2026-02-10T11:43:10,136 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz' 2026-02-10T11:43:10,137 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,138 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,139 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,140 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,142 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,143 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,144 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,145 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,146 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,147 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,148 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,150 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,151 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,152 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,153 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,154 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,155 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,156 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,158 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,159 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,160 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz' 2026-02-10T11:43:10,161 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,162 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,163 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,165 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,166 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,167 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,168 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,169 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,170 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,171 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,173 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,174 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,175 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,176 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,177 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,178 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,179 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,181 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,182 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,183 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,184 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz' 2026-02-10T11:43:10,186 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,187 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,188 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,189 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,190 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,191 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,192 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,194 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,195 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,197 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,198 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,199 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,200 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,201 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,202 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,203 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,204 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,205 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,206 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,208 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,209 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz' 2026-02-10T11:43:10,210 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,211 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,212 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,214 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,215 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,216 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,217 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,219 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,220 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,221 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,222 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,223 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,225 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,226 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,227 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,228 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,229 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,230 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,232 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,233 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,235 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz' 2026-02-10T11:43:10,236 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,237 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,238 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,239 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,240 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,242 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,243 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,244 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,245 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,246 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,247 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,248 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,249 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,250 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,251 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,253 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,254 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,255 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,256 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,257 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,259 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz' 2026-02-10T11:43:10,260 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,261 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,262 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,263 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,265 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,266 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,267 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,268 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,270 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,271 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,272 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,273 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,274 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,275 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,277 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,278 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,279 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,280 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,281 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,282 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,284 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz' 2026-02-10T11:43:10,285 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,286 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,288 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,289 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,290 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,291 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,292 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,293 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,294 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,295 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,297 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,298 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,299 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,300 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,301 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,302 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,303 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,305 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,306 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,307 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,309 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz' 2026-02-10T11:43:10,310 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,311 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,313 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,314 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,315 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,316 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,317 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,319 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,320 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,321 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,322 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,323 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,325 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,326 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,327 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,328 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,329 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,331 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,332 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,333 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,334 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz' 2026-02-10T11:43:10,335 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,337 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,338 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,339 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,340 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,341 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,342 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,343 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,345 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,346 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,347 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,348 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,349 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,350 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,351 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,353 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,354 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,355 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,356 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,358 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,359 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz' 2026-02-10T11:43:10,361 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:10,362 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:10,364 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:10,367 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:10,368 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:10,370 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:10,372 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:10,373 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:10,375 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:10,377 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:10,378 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:10,379 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:10,380 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:10,381 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:10,383 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:10,384 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:10,385 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:10,386 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:10,387 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:10,388 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:10,390 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz' 2026-02-10T11:43:10,392 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz' 2026-02-10T11:43:10,393 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz' 2026-02-10T11:43:10,395 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz' 2026-02-10T11:43:10,398 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz' 2026-02-10T11:43:10,399 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:10,400 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:10,401 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:10,402 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:10,403 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:10,405 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:10,406 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz' 2026-02-10T11:43:10,407 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:10,408 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:10,409 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:10,410 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:10,412 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:10,413 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:10,414 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz' 2026-02-10T11:43:10,415 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:10,417 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:10,418 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:10,419 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:10,420 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:10,422 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:10,423 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz' 2026-02-10T11:43:10,424 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:10,426 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:10,427 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:10,428 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:10,429 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:10,430 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:10,432 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz' 2026-02-10T11:43:10,433 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:10,434 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:10,435 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:10,436 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:10,437 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:10,438 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:10,439 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz' 2026-02-10T11:43:10,440 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:10,441 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:10,442 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:10,443 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:10,444 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:10,445 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:10,447 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz' 2026-02-10T11:43:10,448 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:10,449 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:10,450 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:10,451 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:10,452 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:10,453 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:10,455 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz' 2026-02-10T11:43:10,456 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:10,457 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:10,458 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:10,459 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:10,460 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:10,462 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:10,466 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz' 2026-02-10T11:43:10,467 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz' 2026-02-10T11:43:10,468 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz' 2026-02-10T11:43:10,469 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz' 2026-02-10T11:43:10,470 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz' 2026-02-10T11:43:10,472 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz' 2026-02-10T11:43:10,473 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz' 2026-02-10T11:43:10,474 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz' 2026-02-10T11:43:10,479 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz' 2026-02-10T11:43:10,480 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz' 2026-02-10T11:43:10,482 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz' 2026-02-10T11:43:10,483 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz' 2026-02-10T11:43:10,485 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz' 2026-02-10T11:43:10,486 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz' 2026-02-10T11:43:10,487 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz' 2026-02-10T11:43:10,489 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz' 2026-02-10T11:43:10,490 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz' 2026-02-10T11:43:10,491 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz' 2026-02-10T11:43:10,492 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz' 2026-02-10T11:43:10,493 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz' 2026-02-10T11:43:10,495 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz' 2026-02-10T11:43:10,496 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz' 2026-02-10T11:43:10,497 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz' 2026-02-10T11:43:10,498 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz' 2026-02-10T11:43:10,499 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz' 2026-02-10T11:43:10,500 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz' 2026-02-10T11:43:10,501 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz' 2026-02-10T11:43:10,502 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz' 2026-02-10T11:43:10,504 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz' 2026-02-10T11:43:10,505 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz' 2026-02-10T11:43:10,506 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz' 2026-02-10T11:43:10,507 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz' 2026-02-10T11:43:10,508 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz' 2026-02-10T11:43:10,509 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz' 2026-02-10T11:43:10,511 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz' 2026-02-10T11:43:10,512 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz' 2026-02-10T11:43:10,513 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz' 2026-02-10T11:43:10,514 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz' 2026-02-10T11:43:10,515 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz' 2026-02-10T11:43:10,516 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz' 2026-02-10T11:43:10,517 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz' 2026-02-10T11:43:10,518 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz' 2026-02-10T11:43:10,520 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz' 2026-02-10T11:43:10,521 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz' 2026-02-10T11:43:10,522 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz' 2026-02-10T11:43:10,523 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz' 2026-02-10T11:43:10,525 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz' 2026-02-10T11:43:10,526 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz' 2026-02-10T11:43:10,527 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz' 2026-02-10T11:43:10,528 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz' 2026-02-10T11:43:10,529 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz' 2026-02-10T11:43:10,530 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz' 2026-02-10T11:43:10,532 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz' 2026-02-10T11:43:10,533 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz' 2026-02-10T11:43:10,535 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz' 2026-02-10T11:43:10,536 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz' 2026-02-10T11:43:10,538 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz' 2026-02-10T11:43:10,539 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz' 2026-02-10T11:43:10,541 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz' 2026-02-10T11:43:10,542 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz' 2026-02-10T11:43:10,544 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz' 2026-02-10T11:43:10,545 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz' 2026-02-10T11:43:10,546 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz' 2026-02-10T11:43:10,548 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz' 2026-02-10T11:43:10,549 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz' 2026-02-10T11:43:10,550 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz' 2026-02-10T11:43:10,551 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz' 2026-02-10T11:43:10,552 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz' 2026-02-10T11:43:10,553 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz' 2026-02-10T11:43:10,555 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz' 2026-02-10T11:43:10,556 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz' 2026-02-10T11:43:10,557 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz' 2026-02-10T11:43:10,558 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz' 2026-02-10T11:43:10,559 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz' 2026-02-10T11:43:10,561 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz' 2026-02-10T11:43:10,562 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz' 2026-02-10T11:43:10,563 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz' 2026-02-10T11:43:10,564 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz' 2026-02-10T11:43:10,565 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz' 2026-02-10T11:43:10,566 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz' 2026-02-10T11:43:10,567 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz' 2026-02-10T11:43:10,569 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz' 2026-02-10T11:43:10,570 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz' 2026-02-10T11:43:10,571 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz' 2026-02-10T11:43:10,573 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz' 2026-02-10T11:43:10,574 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz' 2026-02-10T11:43:10,575 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz' 2026-02-10T11:43:10,576 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz' 2026-02-10T11:43:10,577 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz' 2026-02-10T11:43:10,578 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz' 2026-02-10T11:43:10,580 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz' 2026-02-10T11:43:10,581 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz' 2026-02-10T11:43:10,582 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz' 2026-02-10T11:43:10,583 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz' 2026-02-10T11:43:10,585 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz' 2026-02-10T11:43:10,586 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz' 2026-02-10T11:43:10,587 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz' 2026-02-10T11:43:10,588 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz' 2026-02-10T11:43:10,589 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz' 2026-02-10T11:43:10,590 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz' 2026-02-10T11:43:10,592 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz' 2026-02-10T11:43:10,594 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz' 2026-02-10T11:43:10,595 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz' 2026-02-10T11:43:10,596 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz' 2026-02-10T11:43:10,597 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz' 2026-02-10T11:43:10,598 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz' 2026-02-10T11:43:10,600 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz' 2026-02-10T11:43:10,601 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz' 2026-02-10T11:43:10,602 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz' 2026-02-10T11:43:10,603 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz' 2026-02-10T11:43:10,604 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz' 2026-02-10T11:43:10,606 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz' 2026-02-10T11:43:10,607 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz' 2026-02-10T11:43:10,608 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz' 2026-02-10T11:43:10,609 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz' 2026-02-10T11:43:10,610 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz' 2026-02-10T11:43:10,612 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz' 2026-02-10T11:43:10,613 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz' 2026-02-10T11:43:10,614 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz' 2026-02-10T11:43:10,615 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz' 2026-02-10T11:43:10,616 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz' 2026-02-10T11:43:10,617 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz' 2026-02-10T11:43:10,619 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz' 2026-02-10T11:43:10,620 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz' 2026-02-10T11:43:10,621 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz' 2026-02-10T11:43:10,622 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz' 2026-02-10T11:43:10,623 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz' 2026-02-10T11:43:10,625 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz' 2026-02-10T11:43:10,626 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz' 2026-02-10T11:43:10,627 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz' 2026-02-10T11:43:10,628 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz' 2026-02-10T11:43:10,629 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz' 2026-02-10T11:43:10,630 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz' 2026-02-10T11:43:10,632 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz' 2026-02-10T11:43:10,633 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz' 2026-02-10T11:43:10,634 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz' 2026-02-10T11:43:10,635 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz' 2026-02-10T11:43:10,636 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz' 2026-02-10T11:43:10,637 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz' 2026-02-10T11:43:10,639 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz' 2026-02-10T11:43:10,640 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz' 2026-02-10T11:43:10,641 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz' 2026-02-10T11:43:10,642 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz' 2026-02-10T11:43:10,643 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz' 2026-02-10T11:43:10,644 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz' 2026-02-10T11:43:10,645 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz' 2026-02-10T11:43:10,648 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz' 2026-02-10T11:43:10,650 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz' 2026-02-10T11:43:10,651 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz' 2026-02-10T11:43:10,652 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz' 2026-02-10T11:43:10,653 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz' 2026-02-10T11:43:10,654 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz' 2026-02-10T11:43:10,655 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz' 2026-02-10T11:43:10,656 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz' 2026-02-10T11:43:10,658 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz' 2026-02-10T11:43:10,659 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz' 2026-02-10T11:43:10,660 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz' 2026-02-10T11:43:10,661 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz' 2026-02-10T11:43:10,662 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz' 2026-02-10T11:43:10,663 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz' 2026-02-10T11:43:10,665 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz' 2026-02-10T11:43:10,666 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz' 2026-02-10T11:43:10,667 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz' 2026-02-10T11:43:10,668 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz' 2026-02-10T11:43:10,669 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz' 2026-02-10T11:43:10,671 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz' 2026-02-10T11:43:10,672 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz' 2026-02-10T11:43:10,673 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz' 2026-02-10T11:43:10,674 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz' 2026-02-10T11:43:10,676 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz' 2026-02-10T11:43:10,677 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz' 2026-02-10T11:43:10,678 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz' 2026-02-10T11:43:10,679 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz' 2026-02-10T11:43:10,681 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz' 2026-02-10T11:43:10,682 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz' 2026-02-10T11:43:10,683 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz' 2026-02-10T11:43:10,685 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz' 2026-02-10T11:43:10,686 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz' 2026-02-10T11:43:10,687 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz' 2026-02-10T11:43:10,688 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz' 2026-02-10T11:43:10,689 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz' 2026-02-10T11:43:10,690 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz' 2026-02-10T11:43:10,691 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz' 2026-02-10T11:43:10,692 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz' 2026-02-10T11:43:10,694 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz' 2026-02-10T11:43:10,695 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz' 2026-02-10T11:43:10,696 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz' 2026-02-10T11:43:10,697 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz' 2026-02-10T11:43:10,698 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz' 2026-02-10T11:43:10,700 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz' 2026-02-10T11:43:10,701 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz' 2026-02-10T11:43:10,702 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz' 2026-02-10T11:43:10,703 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz' 2026-02-10T11:43:10,704 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz' 2026-02-10T11:43:10,705 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz' 2026-02-10T11:43:10,707 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz' 2026-02-10T11:43:10,708 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz' 2026-02-10T11:43:10,709 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz' 2026-02-10T11:43:10,710 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz' 2026-02-10T11:43:10,711 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz' 2026-02-10T11:43:10,713 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz' 2026-02-10T11:43:10,714 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz' 2026-02-10T11:43:10,715 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz' 2026-02-10T11:43:10,716 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz' 2026-02-10T11:43:10,717 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz' 2026-02-10T11:43:10,719 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz' 2026-02-10T11:43:10,720 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz' 2026-02-10T11:43:10,722 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz' 2026-02-10T11:43:10,723 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz' 2026-02-10T11:43:10,724 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz' 2026-02-10T11:43:10,726 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz' 2026-02-10T11:43:10,727 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz' 2026-02-10T11:43:10,729 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz' 2026-02-10T11:43:10,730 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz' 2026-02-10T11:43:10,732 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz' 2026-02-10T11:43:10,733 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz' 2026-02-10T11:43:10,734 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz' 2026-02-10T11:43:10,737 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz' 2026-02-10T11:43:10,738 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz' 2026-02-10T11:43:10,739 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz' 2026-02-10T11:43:10,740 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz' 2026-02-10T11:43:10,742 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz' 2026-02-10T11:43:10,744 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,745 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz' 2026-02-10T11:43:10,746 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz' 2026-02-10T11:43:10,747 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz' 2026-02-10T11:43:10,748 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,749 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz' 2026-02-10T11:43:10,750 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz' 2026-02-10T11:43:10,752 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz' 2026-02-10T11:43:10,753 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,754 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz' 2026-02-10T11:43:10,755 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,756 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz' 2026-02-10T11:43:10,758 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,759 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz' 2026-02-10T11:43:10,760 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,761 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz' 2026-02-10T11:43:10,762 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,763 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz' 2026-02-10T11:43:10,765 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,766 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz' 2026-02-10T11:43:10,767 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,768 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz' 2026-02-10T11:43:10,769 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz' 2026-02-10T11:43:10,770 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz' 2026-02-10T11:43:10,772 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,773 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz' 2026-02-10T11:43:10,774 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,776 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz' 2026-02-10T11:43:10,777 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,778 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz' 2026-02-10T11:43:10,779 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz' 2026-02-10T11:43:10,781 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz' 2026-02-10T11:43:10,784 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz' 2026-02-10T11:43:10,785 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz' 2026-02-10T11:43:10,787 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz' 2026-02-10T11:43:10,788 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz' 2026-02-10T11:43:10,789 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz' 2026-02-10T11:43:10,790 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz' 2026-02-10T11:43:10,791 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz' 2026-02-10T11:43:10,793 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz' 2026-02-10T11:43:10,794 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz' 2026-02-10T11:43:10,795 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz' 2026-02-10T11:43:10,797 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz' 2026-02-10T11:43:10,798 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz' 2026-02-10T11:43:10,800 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz' 2026-02-10T11:43:10,801 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz' 2026-02-10T11:43:10,803 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz' 2026-02-10T11:43:10,804 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz' 2026-02-10T11:43:10,805 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz' 2026-02-10T11:43:10,806 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz' 2026-02-10T11:43:10,808 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz' 2026-02-10T11:43:10,809 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz' 2026-02-10T11:43:10,810 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz' 2026-02-10T11:43:10,811 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz' 2026-02-10T11:43:10,812 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz' 2026-02-10T11:43:10,814 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz' 2026-02-10T11:43:10,815 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz' 2026-02-10T11:43:10,816 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz' 2026-02-10T11:43:10,818 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz' 2026-02-10T11:43:10,819 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz' 2026-02-10T11:43:10,820 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz' 2026-02-10T11:43:10,821 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz' 2026-02-10T11:43:10,823 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz' 2026-02-10T11:43:10,824 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz' 2026-02-10T11:43:10,826 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz' 2026-02-10T11:43:10,829 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz' 2026-02-10T11:43:10,830 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz' 2026-02-10T11:43:10,831 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz' 2026-02-10T11:43:10,833 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz' 2026-02-10T11:43:10,834 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz' 2026-02-10T11:43:10,835 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz' 2026-02-10T11:43:10,836 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz' 2026-02-10T11:43:10,838 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz' 2026-02-10T11:43:10,839 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz' 2026-02-10T11:43:10,840 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz' 2026-02-10T11:43:10,841 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz' 2026-02-10T11:43:10,842 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz' 2026-02-10T11:43:10,844 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz' 2026-02-10T11:43:10,845 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz' 2026-02-10T11:43:10,846 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz' 2026-02-10T11:43:10,847 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz' 2026-02-10T11:43:10,849 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz' 2026-02-10T11:43:10,850 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz' 2026-02-10T11:43:10,851 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz' 2026-02-10T11:43:10,853 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz' 2026-02-10T11:43:10,854 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz' 2026-02-10T11:43:10,855 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz' 2026-02-10T11:43:10,856 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz' 2026-02-10T11:43:10,857 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz' 2026-02-10T11:43:10,858 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz' 2026-02-10T11:43:10,860 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz' 2026-02-10T11:43:10,861 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz' 2026-02-10T11:43:10,862 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz' 2026-02-10T11:43:10,863 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz' 2026-02-10T11:43:10,864 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz' 2026-02-10T11:43:10,867 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz' 2026-02-10T11:43:10,868 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz' 2026-02-10T11:43:10,869 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz' 2026-02-10T11:43:10,870 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz' 2026-02-10T11:43:10,872 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz' 2026-02-10T11:43:10,873 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz' 2026-02-10T11:43:10,874 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz' 2026-02-10T11:43:10,875 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz' 2026-02-10T11:43:10,876 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz' 2026-02-10T11:43:10,877 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz' 2026-02-10T11:43:10,878 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz' 2026-02-10T11:43:10,880 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz' 2026-02-10T11:43:10,881 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz' 2026-02-10T11:43:10,882 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz' 2026-02-10T11:43:10,883 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz' 2026-02-10T11:43:10,884 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz' 2026-02-10T11:43:10,885 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz' 2026-02-10T11:43:10,886 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz' 2026-02-10T11:43:10,888 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz' 2026-02-10T11:43:10,889 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz' 2026-02-10T11:43:10,890 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz' 2026-02-10T11:43:10,891 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz' 2026-02-10T11:43:10,892 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz' 2026-02-10T11:43:10,893 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz' 2026-02-10T11:43:10,894 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz' 2026-02-10T11:43:10,896 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz' 2026-02-10T11:43:10,897 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz' 2026-02-10T11:43:10,898 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz' 2026-02-10T11:43:10,899 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz' 2026-02-10T11:43:10,901 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz' 2026-02-10T11:43:10,902 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz' 2026-02-10T11:43:10,903 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz' 2026-02-10T11:43:10,904 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz' 2026-02-10T11:43:10,906 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz' 2026-02-10T11:43:10,907 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz' 2026-02-10T11:43:10,908 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz' 2026-02-10T11:43:10,909 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz' 2026-02-10T11:43:10,910 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz' 2026-02-10T11:43:10,911 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz' 2026-02-10T11:43:10,912 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz' 2026-02-10T11:43:10,916 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz' 2026-02-10T11:43:10,917 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz' 2026-02-10T11:43:10,918 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz' 2026-02-10T11:43:10,919 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:10,921 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:10,922 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:10,923 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:10,924 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:10,925 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:10,927 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz' 2026-02-10T11:43:10,928 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz' 2026-02-10T11:43:10,929 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz' 2026-02-10T11:43:10,930 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:10,931 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:10,932 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:10,934 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz' 2026-02-10T11:43:10,935 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz' 2026-02-10T11:43:10,936 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz' 2026-02-10T11:43:10,937 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:10,938 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:10,939 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:10,941 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz' 2026-02-10T11:43:10,942 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz' 2026-02-10T11:43:10,943 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz' 2026-02-10T11:43:10,944 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:10,946 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:10,947 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:10,949 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz' 2026-02-10T11:43:10,950 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz' 2026-02-10T11:43:10,951 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz' 2026-02-10T11:43:10,952 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:10,954 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:10,955 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:10,957 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz' 2026-02-10T11:43:10,958 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz' 2026-02-10T11:43:10,959 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz' 2026-02-10T11:43:10,961 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:10,962 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:10,963 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:10,964 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz' 2026-02-10T11:43:10,965 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz' 2026-02-10T11:43:10,967 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz' 2026-02-10T11:43:10,968 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz' 2026-02-10T11:43:10,970 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz' 2026-02-10T11:43:10,971 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz' 2026-02-10T11:43:10,972 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:10,974 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:10,975 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:10,976 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz' 2026-02-10T11:43:10,977 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz' 2026-02-10T11:43:10,979 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz' 2026-02-10T11:43:10,980 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:10,981 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:10,982 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:10,983 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz' 2026-02-10T11:43:10,985 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz' 2026-02-10T11:43:10,986 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz' 2026-02-10T11:43:10,987 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:10,988 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:10,989 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:10,990 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:10,992 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:10,993 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:10,994 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz' 2026-02-10T11:43:10,995 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz' 2026-02-10T11:43:10,996 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz' 2026-02-10T11:43:10,997 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:10,999 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:11,000 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:11,001 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:11,002 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:11,003 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:11,004 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz' 2026-02-10T11:43:11,005 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz' 2026-02-10T11:43:11,006 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz' 2026-02-10T11:43:11,008 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:11,009 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:11,010 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:11,011 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz' 2026-02-10T11:43:11,012 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz' 2026-02-10T11:43:11,014 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz' 2026-02-10T11:43:11,015 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz' 2026-02-10T11:43:11,016 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz' 2026-02-10T11:43:11,017 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz' 2026-02-10T11:43:11,018 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:11,019 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:11,021 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:11,022 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz' 2026-02-10T11:43:11,023 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz' 2026-02-10T11:43:11,024 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz' 2026-02-10T11:43:11,026 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz' 2026-02-10T11:43:11,027 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz' 2026-02-10T11:43:11,029 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz' 2026-02-10T11:43:11,030 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz' 2026-02-10T11:43:11,031 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz' 2026-02-10T11:43:11,032 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz' 2026-02-10T11:43:11,033 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz' 2026-02-10T11:43:11,035 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz' 2026-02-10T11:43:11,036 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz' 2026-02-10T11:43:11,037 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz' 2026-02-10T11:43:11,039 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz' 2026-02-10T11:43:11,040 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz' 2026-02-10T11:43:11,041 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz' 2026-02-10T11:43:11,043 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz' 2026-02-10T11:43:11,044 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz' 2026-02-10T11:43:11,045 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz' 2026-02-10T11:43:11,046 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz' 2026-02-10T11:43:11,048 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz' 2026-02-10T11:43:11,049 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz' 2026-02-10T11:43:11,051 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz' 2026-02-10T11:43:11,052 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz' 2026-02-10T11:43:11,053 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz' 2026-02-10T11:43:11,055 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz' 2026-02-10T11:43:11,056 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz' 2026-02-10T11:43:11,057 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz' 2026-02-10T11:43:11,058 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz' 2026-02-10T11:43:11,059 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz' 2026-02-10T11:43:11,060 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz' 2026-02-10T11:43:11,061 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz' 2026-02-10T11:43:11,063 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz' 2026-02-10T11:43:11,064 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz' 2026-02-10T11:43:11,065 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz' 2026-02-10T11:43:11,066 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz' 2026-02-10T11:43:11,068 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz' 2026-02-10T11:43:11,069 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz' 2026-02-10T11:43:11,070 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz' 2026-02-10T11:43:11,072 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz' 2026-02-10T11:43:11,073 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz' 2026-02-10T11:43:11,074 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz' 2026-02-10T11:43:11,075 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz' 2026-02-10T11:43:11,076 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz' 2026-02-10T11:43:11,078 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz' 2026-02-10T11:43:11,079 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz' 2026-02-10T11:43:11,080 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz' 2026-02-10T11:43:11,082 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz' 2026-02-10T11:43:11,083 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz' 2026-02-10T11:43:11,084 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz' 2026-02-10T11:43:11,085 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz' 2026-02-10T11:43:11,086 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz' 2026-02-10T11:43:11,087 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz' 2026-02-10T11:43:11,088 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz' 2026-02-10T11:43:11,090 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz' 2026-02-10T11:43:11,091 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz' 2026-02-10T11:43:11,092 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz' 2026-02-10T11:43:11,093 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz' 2026-02-10T11:43:11,094 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz' 2026-02-10T11:43:11,096 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz' 2026-02-10T11:43:11,097 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz' 2026-02-10T11:43:11,098 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz' 2026-02-10T11:43:11,099 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz' 2026-02-10T11:43:11,100 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz' 2026-02-10T11:43:11,101 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz' 2026-02-10T11:43:11,103 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz' 2026-02-10T11:43:11,104 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz' 2026-02-10T11:43:11,105 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz' 2026-02-10T11:43:11,106 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz' 2026-02-10T11:43:11,108 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz' 2026-02-10T11:43:11,109 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz' 2026-02-10T11:43:11,110 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz' 2026-02-10T11:43:11,111 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz' 2026-02-10T11:43:11,113 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz' 2026-02-10T11:43:11,114 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz' 2026-02-10T11:43:11,115 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz' 2026-02-10T11:43:11,116 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz' 2026-02-10T11:43:11,117 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz' 2026-02-10T11:43:11,118 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz' 2026-02-10T11:43:11,119 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz' 2026-02-10T11:43:11,120 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz' 2026-02-10T11:43:11,121 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz' 2026-02-10T11:43:11,123 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz' 2026-02-10T11:43:11,124 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz' 2026-02-10T11:43:11,125 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz' 2026-02-10T11:43:11,126 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz' 2026-02-10T11:43:11,127 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz' 2026-02-10T11:43:11,128 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz' 2026-02-10T11:43:11,129 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz' 2026-02-10T11:43:11,130 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz' 2026-02-10T11:43:11,132 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz' 2026-02-10T11:43:11,133 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz' 2026-02-10T11:43:11,134 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz' 2026-02-10T11:43:11,135 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz' 2026-02-10T11:43:11,136 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz' 2026-02-10T11:43:11,138 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz' 2026-02-10T11:43:11,140 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz' 2026-02-10T11:43:11,141 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz' 2026-02-10T11:43:11,142 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz' 2026-02-10T11:43:11,143 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz' 2026-02-10T11:43:11,144 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz' 2026-02-10T11:43:11,145 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz' 2026-02-10T11:43:11,147 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz' 2026-02-10T11:43:11,148 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz' 2026-02-10T11:43:11,149 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz' 2026-02-10T11:43:11,150 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz' 2026-02-10T11:43:11,151 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz' 2026-02-10T11:43:11,153 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz' 2026-02-10T11:43:11,154 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz' 2026-02-10T11:43:11,155 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz' 2026-02-10T11:43:11,157 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz' 2026-02-10T11:43:11,158 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz' 2026-02-10T11:43:11,160 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz' 2026-02-10T11:43:11,161 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz' 2026-02-10T11:43:11,162 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz' 2026-02-10T11:43:11,163 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz' 2026-02-10T11:43:11,164 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz' 2026-02-10T11:43:11,165 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz' 2026-02-10T11:43:11,167 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz' 2026-02-10T11:43:11,168 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz' 2026-02-10T11:43:11,169 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz' 2026-02-10T11:43:11,170 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz' 2026-02-10T11:43:11,171 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz' 2026-02-10T11:43:11,173 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz' 2026-02-10T11:43:11,174 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz' 2026-02-10T11:43:11,175 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz' 2026-02-10T11:43:11,179 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz' 2026-02-10T11:43:11,180 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz' 2026-02-10T11:43:11,181 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz' 2026-02-10T11:43:11,182 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz' 2026-02-10T11:43:11,184 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz' 2026-02-10T11:43:11,185 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz' 2026-02-10T11:43:11,186 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz' 2026-02-10T11:43:11,187 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz' 2026-02-10T11:43:11,188 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz' 2026-02-10T11:43:11,190 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz' 2026-02-10T11:43:11,191 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz' 2026-02-10T11:43:11,192 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz' 2026-02-10T11:43:11,194 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz' 2026-02-10T11:43:11,195 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz' 2026-02-10T11:43:11,196 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz' 2026-02-10T11:43:11,197 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz' 2026-02-10T11:43:11,199 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz' 2026-02-10T11:43:11,200 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz' 2026-02-10T11:43:11,201 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz' 2026-02-10T11:43:11,203 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz' 2026-02-10T11:43:11,204 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz' 2026-02-10T11:43:11,205 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz' 2026-02-10T11:43:11,206 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz' 2026-02-10T11:43:11,207 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz' 2026-02-10T11:43:11,209 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz' 2026-02-10T11:43:11,210 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz' 2026-02-10T11:43:11,212 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz' 2026-02-10T11:43:11,213 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz' 2026-02-10T11:43:11,214 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz' 2026-02-10T11:43:11,215 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz' 2026-02-10T11:43:11,217 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz' 2026-02-10T11:43:11,218 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz' 2026-02-10T11:43:11,219 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz' 2026-02-10T11:43:11,220 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz' 2026-02-10T11:43:11,221 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz' 2026-02-10T11:43:11,222 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz' 2026-02-10T11:43:11,224 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz' 2026-02-10T11:43:11,225 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz' 2026-02-10T11:43:11,226 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz' 2026-02-10T11:43:11,227 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz' 2026-02-10T11:43:11,229 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz' 2026-02-10T11:43:11,230 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz' 2026-02-10T11:43:11,231 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz' 2026-02-10T11:43:11,232 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz' 2026-02-10T11:43:11,234 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz' 2026-02-10T11:43:11,235 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz' 2026-02-10T11:43:11,236 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz' 2026-02-10T11:43:11,238 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz' 2026-02-10T11:43:11,239 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz' 2026-02-10T11:43:11,240 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz' 2026-02-10T11:43:11,241 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz' 2026-02-10T11:43:11,243 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz' 2026-02-10T11:43:11,244 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz' 2026-02-10T11:43:11,245 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz' 2026-02-10T11:43:11,246 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz' 2026-02-10T11:43:11,247 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz' 2026-02-10T11:43:11,249 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz' 2026-02-10T11:43:11,250 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz' 2026-02-10T11:43:11,251 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz' 2026-02-10T11:43:11,252 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz' 2026-02-10T11:43:11,254 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz' 2026-02-10T11:43:11,255 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz' 2026-02-10T11:43:11,256 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz' 2026-02-10T11:43:11,258 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz' 2026-02-10T11:43:11,259 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz' 2026-02-10T11:43:11,260 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz' 2026-02-10T11:43:11,261 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz' 2026-02-10T11:43:11,262 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz' 2026-02-10T11:43:11,263 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz' 2026-02-10T11:43:11,264 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz' 2026-02-10T11:43:11,265 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz' 2026-02-10T11:43:11,267 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz' 2026-02-10T11:43:11,268 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz' 2026-02-10T11:43:11,269 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz' 2026-02-10T11:43:11,270 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz' 2026-02-10T11:43:11,271 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz' 2026-02-10T11:43:11,272 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz' 2026-02-10T11:43:11,273 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz' 2026-02-10T11:43:11,275 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz' 2026-02-10T11:43:11,276 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz' 2026-02-10T11:43:11,277 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz' 2026-02-10T11:43:11,278 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz' 2026-02-10T11:43:11,279 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz' 2026-02-10T11:43:11,280 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz' 2026-02-10T11:43:11,282 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz' 2026-02-10T11:43:11,283 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz' 2026-02-10T11:43:11,284 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz' 2026-02-10T11:43:11,285 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz' 2026-02-10T11:43:11,286 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz' 2026-02-10T11:43:11,288 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz' 2026-02-10T11:43:11,289 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz' 2026-02-10T11:43:11,290 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz' 2026-02-10T11:43:11,291 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz' 2026-02-10T11:43:11,293 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz' 2026-02-10T11:43:11,294 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz' 2026-02-10T11:43:11,295 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz' 2026-02-10T11:43:11,296 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz' 2026-02-10T11:43:11,297 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz' 2026-02-10T11:43:11,299 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz' 2026-02-10T11:43:11,300 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz' 2026-02-10T11:43:11,301 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz' 2026-02-10T11:43:11,305 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz' 2026-02-10T11:43:11,306 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz' 2026-02-10T11:43:11,307 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz' 2026-02-10T11:43:11,308 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz' 2026-02-10T11:43:11,309 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz' 2026-02-10T11:43:11,311 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz' 2026-02-10T11:43:11,314 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz' 2026-02-10T11:43:11,317 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz' 2026-02-10T11:43:11,320 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz' 2026-02-10T11:43:11,323 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz' 2026-02-10T11:43:11,326 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz' 2026-02-10T11:43:11,329 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz' 2026-02-10T11:43:11,332 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz' 2026-02-10T11:43:11,335 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz' 2026-02-10T11:43:11,336 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz' 2026-02-10T11:43:11,337 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz' 2026-02-10T11:43:11,339 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz' 2026-02-10T11:43:11,341 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz' 2026-02-10T11:43:11,344 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz' 2026-02-10T11:43:11,346 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz' 2026-02-10T11:43:11,348 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz' 2026-02-10T11:43:11,351 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz' 2026-02-10T11:43:11,354 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz' 2026-02-10T11:43:11,356 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz' 2026-02-10T11:43:11,359 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz' 2026-02-10T11:43:11,362 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz' 2026-02-10T11:43:11,365 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz' 2026-02-10T11:43:11,369 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz' 2026-02-10T11:43:11,380 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz' 2026-02-10T11:43:11,384 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz' 2026-02-10T11:43:11,385 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz' 2026-02-10T11:43:11,386 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz' 2026-02-10T11:43:11,387 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz' 2026-02-10T11:43:11,389 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz' 2026-02-10T11:43:11,390 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz' 2026-02-10T11:43:11,391 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz' 2026-02-10T11:43:11,393 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz' 2026-02-10T11:43:11,394 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz' 2026-02-10T11:43:11,396 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz' 2026-02-10T11:43:11,397 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz' 2026-02-10T11:43:11,398 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz' 2026-02-10T11:43:11,400 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz' 2026-02-10T11:43:11,401 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz' 2026-02-10T11:43:11,403 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz' 2026-02-10T11:43:11,405 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz' 2026-02-10T11:43:11,409 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz' 2026-02-10T11:43:11,414 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz' 2026-02-10T11:43:11,418 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz' 2026-02-10T11:43:11,426 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz' 2026-02-10T11:43:11,431 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz' 2026-02-10T11:43:11,434 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz' 2026-02-10T11:43:11,439 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz' 2026-02-10T11:43:11,441 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz' 2026-02-10T11:43:11,444 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz' 2026-02-10T11:43:11,445 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz' 2026-02-10T11:43:11,446 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz' 2026-02-10T11:43:11,447 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz' 2026-02-10T11:43:11,449 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz' 2026-02-10T11:43:11,450 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz' 2026-02-10T11:43:11,452 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz' 2026-02-10T11:43:11,455 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz' 2026-02-10T11:43:11,459 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz' 2026-02-10T11:43:11,465 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz' 2026-02-10T11:43:11,469 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz' 2026-02-10T11:43:11,474 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz' 2026-02-10T11:43:11,479 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz' 2026-02-10T11:43:11,483 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz' 2026-02-10T11:43:11,484 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz' 2026-02-10T11:43:11,486 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz' 2026-02-10T11:43:11,487 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz' 2026-02-10T11:43:11,488 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz' 2026-02-10T11:43:11,489 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz' 2026-02-10T11:43:11,491 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz' 2026-02-10T11:43:11,492 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz' 2026-02-10T11:43:11,493 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz' 2026-02-10T11:43:11,495 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz' 2026-02-10T11:43:11,496 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz' 2026-02-10T11:43:11,497 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz' 2026-02-10T11:43:11,498 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz' 2026-02-10T11:43:11,500 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz' 2026-02-10T11:43:11,505 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz' 2026-02-10T11:43:11,507 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz' 2026-02-10T11:43:11,508 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz' 2026-02-10T11:43:11,509 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz' 2026-02-10T11:43:11,511 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz' 2026-02-10T11:43:11,512 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz' 2026-02-10T11:43:11,513 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz' 2026-02-10T11:43:11,514 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz' 2026-02-10T11:43:11,515 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz' 2026-02-10T11:43:11,516 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz' 2026-02-10T11:43:11,517 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz' 2026-02-10T11:43:11,518 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz' 2026-02-10T11:43:11,519 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz' 2026-02-10T11:43:11,520 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz' 2026-02-10T11:43:11,522 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz' 2026-02-10T11:43:11,523 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz' 2026-02-10T11:43:11,524 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz' 2026-02-10T11:43:11,525 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz' 2026-02-10T11:43:11,526 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz' 2026-02-10T11:43:11,528 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz' 2026-02-10T11:43:11,529 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz' 2026-02-10T11:43:11,530 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz' 2026-02-10T11:43:11,531 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz' 2026-02-10T11:43:11,532 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz' 2026-02-10T11:43:11,533 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz' 2026-02-10T11:43:11,534 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz' 2026-02-10T11:43:11,536 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz' 2026-02-10T11:43:11,537 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz' 2026-02-10T11:43:11,538 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz' 2026-02-10T11:43:11,539 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz' 2026-02-10T11:43:11,540 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz' 2026-02-10T11:43:11,542 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz' 2026-02-10T11:43:11,543 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz' 2026-02-10T11:43:11,544 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz' 2026-02-10T11:43:11,545 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz' 2026-02-10T11:43:11,547 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz' 2026-02-10T11:43:11,548 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz' 2026-02-10T11:43:11,550 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz' 2026-02-10T11:43:11,551 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz' 2026-02-10T11:43:11,552 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz' 2026-02-10T11:43:11,553 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz' 2026-02-10T11:43:11,555 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz' 2026-02-10T11:43:11,556 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz' 2026-02-10T11:43:11,557 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz' 2026-02-10T11:43:11,558 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz' 2026-02-10T11:43:11,559 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz' 2026-02-10T11:43:11,560 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz' 2026-02-10T11:43:11,562 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz' 2026-02-10T11:43:11,563 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz' 2026-02-10T11:43:11,564 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz' 2026-02-10T11:43:11,566 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz' 2026-02-10T11:43:11,567 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz' 2026-02-10T11:43:11,568 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz' 2026-02-10T11:43:11,569 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz' 2026-02-10T11:43:11,571 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz' 2026-02-10T11:43:11,572 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz' 2026-02-10T11:43:11,573 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz' 2026-02-10T11:43:11,574 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz' 2026-02-10T11:43:11,576 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz' 2026-02-10T11:43:11,577 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz' 2026-02-10T11:43:11,578 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz' 2026-02-10T11:43:11,579 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz' 2026-02-10T11:43:11,581 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz' 2026-02-10T11:43:11,582 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz' 2026-02-10T11:43:11,583 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz' 2026-02-10T11:43:11,584 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz' 2026-02-10T11:43:11,585 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz' 2026-02-10T11:43:11,587 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz' 2026-02-10T11:43:11,588 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz' 2026-02-10T11:43:11,589 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz' 2026-02-10T11:43:11,591 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz' 2026-02-10T11:43:11,592 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz' 2026-02-10T11:43:11,593 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz' 2026-02-10T11:43:11,595 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz' 2026-02-10T11:43:11,596 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz' 2026-02-10T11:43:11,597 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz' 2026-02-10T11:43:11,599 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz' 2026-02-10T11:43:11,600 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz' 2026-02-10T11:43:11,602 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz' 2026-02-10T11:43:11,604 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz' 2026-02-10T11:43:11,606 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz' 2026-02-10T11:43:11,608 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz' 2026-02-10T11:43:11,610 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz' 2026-02-10T11:43:11,612 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz' 2026-02-10T11:43:11,614 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz' 2026-02-10T11:43:11,615 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz' 2026-02-10T11:43:11,617 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz' 2026-02-10T11:43:11,619 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz' 2026-02-10T11:43:11,620 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz' 2026-02-10T11:43:11,621 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz' 2026-02-10T11:43:11,623 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz' 2026-02-10T11:43:11,625 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz' 2026-02-10T11:43:11,627 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz' 2026-02-10T11:43:11,629 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz' 2026-02-10T11:43:11,632 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz' 2026-02-10T11:43:11,634 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz' 2026-02-10T11:43:11,638 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz' 2026-02-10T11:43:11,641 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz' 2026-02-10T11:43:11,643 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz' 2026-02-10T11:43:11,646 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz' 2026-02-10T11:43:11,647 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz' 2026-02-10T11:43:11,648 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz' 2026-02-10T11:43:11,649 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz' 2026-02-10T11:43:11,650 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz' 2026-02-10T11:43:11,651 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz' 2026-02-10T11:43:11,653 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz' 2026-02-10T11:43:11,654 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz' 2026-02-10T11:43:11,656 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz' 2026-02-10T11:43:11,658 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz' 2026-02-10T11:43:11,659 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz' 2026-02-10T11:43:11,661 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz' 2026-02-10T11:43:11,663 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz' 2026-02-10T11:43:11,665 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz' 2026-02-10T11:43:11,666 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz' 2026-02-10T11:43:11,667 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz' 2026-02-10T11:43:11,669 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz' 2026-02-10T11:43:11,670 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz' 2026-02-10T11:43:11,671 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz' 2026-02-10T11:43:11,672 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz' 2026-02-10T11:43:11,673 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz' 2026-02-10T11:43:11,674 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz' 2026-02-10T11:43:11,676 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz' 2026-02-10T11:43:11,677 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz' 2026-02-10T11:43:11,678 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz' 2026-02-10T11:43:11,679 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz' 2026-02-10T11:43:11,680 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz' 2026-02-10T11:43:11,681 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz' 2026-02-10T11:43:11,683 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz' 2026-02-10T11:43:11,684 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz' 2026-02-10T11:43:11,685 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz' 2026-02-10T11:43:11,686 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz' 2026-02-10T11:43:11,687 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz' 2026-02-10T11:43:11,688 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz' 2026-02-10T11:43:11,689 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz' 2026-02-10T11:43:11,691 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz' 2026-02-10T11:43:11,692 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz' 2026-02-10T11:43:11,693 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz' 2026-02-10T11:43:11,695 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz' 2026-02-10T11:43:11,696 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz' 2026-02-10T11:43:11,697 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz' 2026-02-10T11:43:11,698 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz' 2026-02-10T11:43:11,699 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz' 2026-02-10T11:43:11,700 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz' 2026-02-10T11:43:11,702 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz' 2026-02-10T11:43:11,703 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz' 2026-02-10T11:43:11,704 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz' 2026-02-10T11:43:11,705 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz' 2026-02-10T11:43:11,706 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz' 2026-02-10T11:43:11,707 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz' 2026-02-10T11:43:11,709 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz' 2026-02-10T11:43:11,710 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz' 2026-02-10T11:43:11,711 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz' 2026-02-10T11:43:11,712 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz' 2026-02-10T11:43:11,713 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz' 2026-02-10T11:43:11,714 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz' 2026-02-10T11:43:11,715 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz' 2026-02-10T11:43:11,717 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz' 2026-02-10T11:43:11,718 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz' 2026-02-10T11:43:11,719 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz' 2026-02-10T11:43:11,720 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz' 2026-02-10T11:43:11,722 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz' 2026-02-10T11:43:11,723 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz' 2026-02-10T11:43:11,724 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz' 2026-02-10T11:43:11,725 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz' 2026-02-10T11:43:11,727 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz' 2026-02-10T11:43:11,728 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz' 2026-02-10T11:43:11,729 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz' 2026-02-10T11:43:11,730 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz' 2026-02-10T11:43:11,731 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz' 2026-02-10T11:43:11,733 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz' 2026-02-10T11:43:11,734 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz' 2026-02-10T11:43:11,735 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz' 2026-02-10T11:43:11,737 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz' 2026-02-10T11:43:11,738 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz' 2026-02-10T11:43:11,739 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz' 2026-02-10T11:43:11,741 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz' 2026-02-10T11:43:11,742 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz' 2026-02-10T11:43:11,743 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz' 2026-02-10T11:43:11,745 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz' 2026-02-10T11:43:11,746 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz' 2026-02-10T11:43:11,747 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz' 2026-02-10T11:43:11,748 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz' 2026-02-10T11:43:11,750 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz' 2026-02-10T11:43:11,752 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz' 2026-02-10T11:43:11,754 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz' 2026-02-10T11:43:11,757 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz' 2026-02-10T11:43:11,759 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz' 2026-02-10T11:43:11,762 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz' 2026-02-10T11:43:11,763 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz' 2026-02-10T11:43:11,764 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz' 2026-02-10T11:43:11,765 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz' 2026-02-10T11:43:11,767 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz' 2026-02-10T11:43:11,769 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz' 2026-02-10T11:43:11,770 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz' 2026-02-10T11:43:11,772 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz' 2026-02-10T11:43:11,773 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz' 2026-02-10T11:43:11,775 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz' 2026-02-10T11:43:11,776 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz' 2026-02-10T11:43:11,778 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz' 2026-02-10T11:43:11,779 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz' 2026-02-10T11:43:11,781 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz' 2026-02-10T11:43:11,782 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz' 2026-02-10T11:43:11,784 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz' 2026-02-10T11:43:11,785 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz' 2026-02-10T11:43:11,788 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz' 2026-02-10T11:43:11,790 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz' 2026-02-10T11:43:11,793 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz' 2026-02-10T11:43:11,797 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz' 2026-02-10T11:43:11,801 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz' 2026-02-10T11:43:11,803 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz' 2026-02-10T11:43:11,804 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz' 2026-02-10T11:43:11,805 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz' 2026-02-10T11:43:11,806 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz' 2026-02-10T11:43:11,808 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz' 2026-02-10T11:43:11,809 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz' 2026-02-10T11:43:11,810 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz' 2026-02-10T11:43:11,812 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz' 2026-02-10T11:43:11,813 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz' 2026-02-10T11:43:11,815 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz' 2026-02-10T11:43:11,816 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz' 2026-02-10T11:43:11,817 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz' 2026-02-10T11:43:11,819 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz' 2026-02-10T11:43:11,820 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz' 2026-02-10T11:43:11,822 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz' 2026-02-10T11:43:11,824 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz' 2026-02-10T11:43:11,827 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz' 2026-02-10T11:43:11,828 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz' 2026-02-10T11:43:11,830 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz' 2026-02-10T11:43:11,831 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz' 2026-02-10T11:43:11,833 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz' 2026-02-10T11:43:11,834 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz' 2026-02-10T11:43:11,836 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz' 2026-02-10T11:43:11,837 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz' 2026-02-10T11:43:11,838 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz' 2026-02-10T11:43:11,840 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz' 2026-02-10T11:43:11,841 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz' 2026-02-10T11:43:11,843 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz' 2026-02-10T11:43:11,844 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz' 2026-02-10T11:43:11,846 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz' 2026-02-10T11:43:11,848 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz' 2026-02-10T11:43:11,849 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz' 2026-02-10T11:43:11,851 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz' 2026-02-10T11:43:11,853 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz' 2026-02-10T11:43:11,855 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz' 2026-02-10T11:43:11,856 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz' 2026-02-10T11:43:11,858 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz' 2026-02-10T11:43:11,860 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz' 2026-02-10T11:43:11,862 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz' 2026-02-10T11:43:11,864 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz' 2026-02-10T11:43:11,865 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz' 2026-02-10T11:43:11,866 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz' 2026-02-10T11:43:11,868 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz' 2026-02-10T11:43:11,869 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz' 2026-02-10T11:43:11,871 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz' 2026-02-10T11:43:11,873 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz' 2026-02-10T11:43:11,875 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz' 2026-02-10T11:43:11,877 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz' 2026-02-10T11:43:11,878 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz' 2026-02-10T11:43:11,880 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz' 2026-02-10T11:43:11,881 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz' 2026-02-10T11:43:11,883 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz' 2026-02-10T11:43:11,885 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz' 2026-02-10T11:43:11,886 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz' 2026-02-10T11:43:11,888 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz' 2026-02-10T11:43:11,889 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz' 2026-02-10T11:43:11,891 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz' 2026-02-10T11:43:11,892 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz' 2026-02-10T11:43:11,894 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz' 2026-02-10T11:43:11,895 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz' 2026-02-10T11:43:11,897 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz' 2026-02-10T11:43:11,900 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz' 2026-02-10T11:43:11,902 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz' 2026-02-10T11:43:11,904 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz' 2026-02-10T11:43:11,906 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz' 2026-02-10T11:43:11,908 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz' 2026-02-10T11:43:11,911 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz' 2026-02-10T11:43:11,916 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz' 2026-02-10T11:43:11,920 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz' 2026-02-10T11:43:11,924 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz' 2026-02-10T11:43:11,927 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz' 2026-02-10T11:43:11,929 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz' 2026-02-10T11:43:11,931 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz' 2026-02-10T11:43:11,934 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz' 2026-02-10T11:43:11,936 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz' 2026-02-10T11:43:11,938 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz' 2026-02-10T11:43:11,939 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz' 2026-02-10T11:43:11,941 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz' 2026-02-10T11:43:11,942 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz' 2026-02-10T11:43:11,943 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz' 2026-02-10T11:43:11,944 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz' 2026-02-10T11:43:11,945 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz' 2026-02-10T11:43:11,946 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz' 2026-02-10T11:43:11,947 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz' 2026-02-10T11:43:11,948 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz' 2026-02-10T11:43:11,949 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz' 2026-02-10T11:43:11,951 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz' 2026-02-10T11:43:11,952 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz' 2026-02-10T11:43:11,953 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz' 2026-02-10T11:43:11,954 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz' 2026-02-10T11:43:11,956 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz' 2026-02-10T11:43:11,957 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz' 2026-02-10T11:43:11,958 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz' 2026-02-10T11:43:11,960 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz' 2026-02-10T11:43:11,961 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz' 2026-02-10T11:43:11,962 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz' 2026-02-10T11:43:11,964 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz' 2026-02-10T11:43:11,965 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz' 2026-02-10T11:43:11,966 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz' 2026-02-10T11:43:11,968 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz' 2026-02-10T11:43:11,969 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz' 2026-02-10T11:43:11,970 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz' 2026-02-10T11:43:11,971 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz' 2026-02-10T11:43:11,973 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz' 2026-02-10T11:43:11,974 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz' 2026-02-10T11:43:11,975 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz' 2026-02-10T11:43:11,976 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz' 2026-02-10T11:43:11,978 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz' 2026-02-10T11:43:11,980 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz' 2026-02-10T11:43:11,982 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz' 2026-02-10T11:43:11,984 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz' 2026-02-10T11:43:11,986 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz' 2026-02-10T11:43:11,987 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz' 2026-02-10T11:43:11,989 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz' 2026-02-10T11:43:11,990 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz' 2026-02-10T11:43:11,991 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz' 2026-02-10T11:43:11,992 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz' 2026-02-10T11:43:11,994 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz' 2026-02-10T11:43:11,995 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz' 2026-02-10T11:43:11,997 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz' 2026-02-10T11:43:11,999 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz' 2026-02-10T11:43:12,001 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz' 2026-02-10T11:43:12,002 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz' 2026-02-10T11:43:12,005 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz' 2026-02-10T11:43:12,006 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz' 2026-02-10T11:43:12,008 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz' 2026-02-10T11:43:12,009 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz' 2026-02-10T11:43:12,011 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz' 2026-02-10T11:43:12,012 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz' 2026-02-10T11:43:12,013 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz' 2026-02-10T11:43:12,014 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz' 2026-02-10T11:43:12,016 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz' 2026-02-10T11:43:12,019 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz' 2026-02-10T11:43:12,024 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz' 2026-02-10T11:43:12,025 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz' 2026-02-10T11:43:12,030 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz' 2026-02-10T11:43:12,031 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz' 2026-02-10T11:43:12,033 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz' 2026-02-10T11:43:12,034 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz' 2026-02-10T11:43:12,036 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz' 2026-02-10T11:43:12,037 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz' 2026-02-10T11:43:12,038 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz' 2026-02-10T11:43:12,039 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz' 2026-02-10T11:43:12,040 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz' 2026-02-10T11:43:12,041 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz' 2026-02-10T11:43:12,043 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz' 2026-02-10T11:43:12,044 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz' 2026-02-10T11:43:12,046 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz' 2026-02-10T11:43:12,047 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz' 2026-02-10T11:43:12,048 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz' 2026-02-10T11:43:12,049 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz' 2026-02-10T11:43:12,050 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz' 2026-02-10T11:43:12,051 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz' 2026-02-10T11:43:12,053 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz' 2026-02-10T11:43:12,054 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz' 2026-02-10T11:43:12,056 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz' 2026-02-10T11:43:12,057 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz' 2026-02-10T11:43:12,058 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz' 2026-02-10T11:43:12,059 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz' 2026-02-10T11:43:12,060 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz' 2026-02-10T11:43:12,061 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz' 2026-02-10T11:43:12,073 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz' 2026-02-10T11:43:12,074 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz' 2026-02-10T11:43:12,075 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz' 2026-02-10T11:43:12,077 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz' 2026-02-10T11:43:12,078 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz' 2026-02-10T11:43:12,079 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz' 2026-02-10T11:43:12,080 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz' 2026-02-10T11:43:12,081 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz' 2026-02-10T11:43:12,082 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz' 2026-02-10T11:43:12,083 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz' 2026-02-10T11:43:12,084 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz' 2026-02-10T11:43:12,085 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz' 2026-02-10T11:43:12,086 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz' 2026-02-10T11:43:12,087 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz' 2026-02-10T11:43:12,088 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz' 2026-02-10T11:43:12,089 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz' 2026-02-10T11:43:12,090 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz' 2026-02-10T11:43:12,091 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz' 2026-02-10T11:43:12,092 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz' 2026-02-10T11:43:12,093 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz' 2026-02-10T11:43:12,094 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz' 2026-02-10T11:43:12,095 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz' 2026-02-10T11:43:12,097 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz' 2026-02-10T11:43:12,098 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz' 2026-02-10T11:43:12,099 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz' 2026-02-10T11:43:12,100 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz' 2026-02-10T11:43:12,101 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz' 2026-02-10T11:43:12,102 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz' 2026-02-10T11:43:12,103 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz' 2026-02-10T11:43:12,104 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz' 2026-02-10T11:43:12,105 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz' 2026-02-10T11:43:12,107 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz' 2026-02-10T11:43:12,108 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz' 2026-02-10T11:43:12,109 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz' 2026-02-10T11:43:12,110 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz' 2026-02-10T11:43:12,112 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz' 2026-02-10T11:43:12,113 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz' 2026-02-10T11:43:12,114 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz' 2026-02-10T11:43:12,116 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz' 2026-02-10T11:43:12,117 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz' 2026-02-10T11:43:12,118 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz' 2026-02-10T11:43:12,119 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz' 2026-02-10T11:43:12,121 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz' 2026-02-10T11:43:12,122 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz' 2026-02-10T11:43:12,123 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz' 2026-02-10T11:43:12,124 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz' 2026-02-10T11:43:12,126 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz' 2026-02-10T11:43:12,127 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz' 2026-02-10T11:43:12,128 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz' 2026-02-10T11:43:12,129 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz' 2026-02-10T11:43:12,130 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz' 2026-02-10T11:43:12,131 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz' 2026-02-10T11:43:12,132 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz' 2026-02-10T11:43:12,133 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz' 2026-02-10T11:43:12,134 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz' 2026-02-10T11:43:12,135 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz' 2026-02-10T11:43:12,136 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz' 2026-02-10T11:43:12,137 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz' 2026-02-10T11:43:12,138 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz' 2026-02-10T11:43:12,139 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz' 2026-02-10T11:43:12,140 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz' 2026-02-10T11:43:12,141 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz' 2026-02-10T11:43:12,142 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz' 2026-02-10T11:43:12,143 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz' 2026-02-10T11:43:12,145 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz' 2026-02-10T11:43:12,146 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz' 2026-02-10T11:43:12,147 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz' 2026-02-10T11:43:12,148 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz' 2026-02-10T11:43:12,149 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz' 2026-02-10T11:43:12,150 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz' 2026-02-10T11:43:12,151 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz' 2026-02-10T11:43:12,152 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz' 2026-02-10T11:43:12,153 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz' 2026-02-10T11:43:12,155 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz' 2026-02-10T11:43:12,156 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz' 2026-02-10T11:43:12,157 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz' 2026-02-10T11:43:12,158 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz' 2026-02-10T11:43:12,159 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz' 2026-02-10T11:43:12,160 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz' 2026-02-10T11:43:12,161 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz' 2026-02-10T11:43:12,162 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz' 2026-02-10T11:43:12,164 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz' 2026-02-10T11:43:12,165 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz' 2026-02-10T11:43:12,166 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz' 2026-02-10T11:43:12,167 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz' 2026-02-10T11:43:12,168 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz' 2026-02-10T11:43:12,169 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz' 2026-02-10T11:43:12,170 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz' 2026-02-10T11:43:12,171 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz' 2026-02-10T11:43:12,172 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz' 2026-02-10T11:43:12,174 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz' 2026-02-10T11:43:12,175 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz' 2026-02-10T11:43:12,176 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz' 2026-02-10T11:43:12,177 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz' 2026-02-10T11:43:12,178 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz' 2026-02-10T11:43:12,179 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz' 2026-02-10T11:43:12,180 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz' 2026-02-10T11:43:12,181 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz' 2026-02-10T11:43:12,182 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz' 2026-02-10T11:43:12,183 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz' 2026-02-10T11:43:12,184 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz' 2026-02-10T11:43:12,185 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz' 2026-02-10T11:43:12,186 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz' 2026-02-10T11:43:12,187 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz' 2026-02-10T11:43:12,188 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz' 2026-02-10T11:43:12,189 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz' 2026-02-10T11:43:12,190 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz' 2026-02-10T11:43:12,191 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz' 2026-02-10T11:43:12,192 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz' 2026-02-10T11:43:12,193 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz' 2026-02-10T11:43:12,195 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz' 2026-02-10T11:43:12,196 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz' 2026-02-10T11:43:12,197 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz' 2026-02-10T11:43:12,198 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz' 2026-02-10T11:43:12,199 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz' 2026-02-10T11:43:12,200 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz' 2026-02-10T11:43:12,201 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz' 2026-02-10T11:43:12,202 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz' 2026-02-10T11:43:12,203 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz' 2026-02-10T11:43:12,205 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz' 2026-02-10T11:43:12,206 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz' 2026-02-10T11:43:12,207 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz' 2026-02-10T11:43:12,208 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz' 2026-02-10T11:43:12,209 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz' 2026-02-10T11:43:12,210 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz' 2026-02-10T11:43:12,212 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz' 2026-02-10T11:43:12,213 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz' 2026-02-10T11:43:12,214 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz' 2026-02-10T11:43:12,215 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz' 2026-02-10T11:43:12,216 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz' 2026-02-10T11:43:12,217 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz' 2026-02-10T11:43:12,218 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz' 2026-02-10T11:43:12,219 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz' 2026-02-10T11:43:12,220 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz' 2026-02-10T11:43:12,222 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz' 2026-02-10T11:43:12,223 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz' 2026-02-10T11:43:12,224 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz' 2026-02-10T11:43:12,225 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz' 2026-02-10T11:43:12,226 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz' 2026-02-10T11:43:12,227 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz' 2026-02-10T11:43:12,228 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz' 2026-02-10T11:43:12,229 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz' 2026-02-10T11:43:12,230 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz' 2026-02-10T11:43:12,231 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz' 2026-02-10T11:43:12,232 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz' 2026-02-10T11:43:12,233 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz' 2026-02-10T11:43:12,234 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz' 2026-02-10T11:43:12,235 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz' 2026-02-10T11:43:12,236 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz' 2026-02-10T11:43:12,237 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz' 2026-02-10T11:43:12,238 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz' 2026-02-10T11:43:12,239 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz' 2026-02-10T11:43:12,240 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz' 2026-02-10T11:43:12,241 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz' 2026-02-10T11:43:12,242 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz' 2026-02-10T11:43:12,243 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz' 2026-02-10T11:43:12,244 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz' 2026-02-10T11:43:12,246 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz' 2026-02-10T11:43:12,247 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz' 2026-02-10T11:43:12,248 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz' 2026-02-10T11:43:12,249 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz' 2026-02-10T11:43:12,250 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz' 2026-02-10T11:43:12,251 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz' 2026-02-10T11:43:12,252 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz' 2026-02-10T11:43:12,253 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz' 2026-02-10T11:43:12,254 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz' 2026-02-10T11:43:12,256 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz' 2026-02-10T11:43:12,257 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz' 2026-02-10T11:43:12,258 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz' 2026-02-10T11:43:12,259 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz' 2026-02-10T11:43:12,260 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz' 2026-02-10T11:43:12,261 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz' 2026-02-10T11:43:12,262 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz' 2026-02-10T11:43:12,263 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz' 2026-02-10T11:43:12,264 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz' 2026-02-10T11:43:12,265 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz' 2026-02-10T11:43:12,267 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz' 2026-02-10T11:43:12,268 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz' 2026-02-10T11:43:12,269 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz' 2026-02-10T11:43:12,270 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz' 2026-02-10T11:43:12,271 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz' 2026-02-10T11:43:12,272 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz' 2026-02-10T11:43:12,273 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz' 2026-02-10T11:43:12,274 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz' 2026-02-10T11:43:12,275 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz' 2026-02-10T11:43:12,276 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz' 2026-02-10T11:43:12,277 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz' 2026-02-10T11:43:12,278 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz' 2026-02-10T11:43:12,279 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz' 2026-02-10T11:43:12,280 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz' 2026-02-10T11:43:12,281 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz' 2026-02-10T11:43:12,282 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz' 2026-02-10T11:43:12,283 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz' 2026-02-10T11:43:12,285 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz' 2026-02-10T11:43:12,286 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz' 2026-02-10T11:43:12,287 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz' 2026-02-10T11:43:12,288 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz' 2026-02-10T11:43:12,289 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz' 2026-02-10T11:43:12,290 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz' 2026-02-10T11:43:12,291 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz' 2026-02-10T11:43:12,292 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz' 2026-02-10T11:43:12,293 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz' 2026-02-10T11:43:12,295 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz' 2026-02-10T11:43:12,296 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz' 2026-02-10T11:43:12,297 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz' 2026-02-10T11:43:12,298 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz' 2026-02-10T11:43:12,299 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz' 2026-02-10T11:43:12,300 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz' 2026-02-10T11:43:12,301 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz' 2026-02-10T11:43:12,302 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz' 2026-02-10T11:43:12,304 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz' 2026-02-10T11:43:12,305 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz' 2026-02-10T11:43:12,306 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz' 2026-02-10T11:43:12,307 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz' 2026-02-10T11:43:12,308 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz' 2026-02-10T11:43:12,309 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz' 2026-02-10T11:43:12,310 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz' 2026-02-10T11:43:12,311 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz' 2026-02-10T11:43:12,313 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz' 2026-02-10T11:43:12,314 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz' 2026-02-10T11:43:12,315 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz' 2026-02-10T11:43:12,316 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz' 2026-02-10T11:43:12,317 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz' 2026-02-10T11:43:12,318 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz' 2026-02-10T11:43:12,319 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz' 2026-02-10T11:43:12,320 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz' 2026-02-10T11:43:12,321 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz' 2026-02-10T11:43:12,322 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz' 2026-02-10T11:43:12,323 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz' 2026-02-10T11:43:12,324 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz' 2026-02-10T11:43:12,325 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz' 2026-02-10T11:43:12,326 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz' 2026-02-10T11:43:12,327 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz' 2026-02-10T11:43:12,328 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz' 2026-02-10T11:43:12,330 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz' 2026-02-10T11:43:12,331 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz' 2026-02-10T11:43:12,332 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz' 2026-02-10T11:43:12,333 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz' 2026-02-10T11:43:12,334 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz' 2026-02-10T11:43:12,335 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz' 2026-02-10T11:43:12,336 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz' 2026-02-10T11:43:12,337 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz' 2026-02-10T11:43:12,338 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz' 2026-02-10T11:43:12,339 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz' 2026-02-10T11:43:12,340 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz' 2026-02-10T11:43:12,342 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz' 2026-02-10T11:43:12,343 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz' 2026-02-10T11:43:12,344 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz' 2026-02-10T11:43:12,345 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz' 2026-02-10T11:43:12,346 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz' 2026-02-10T11:43:12,347 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz' 2026-02-10T11:43:12,348 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz' 2026-02-10T11:43:12,349 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz' 2026-02-10T11:43:12,350 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz' 2026-02-10T11:43:12,351 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz' 2026-02-10T11:43:12,353 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz' 2026-02-10T11:43:12,354 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz' 2026-02-10T11:43:12,355 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz' 2026-02-10T11:43:12,356 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz' 2026-02-10T11:43:12,357 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz' 2026-02-10T11:43:12,358 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz' 2026-02-10T11:43:12,359 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz' 2026-02-10T11:43:12,360 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz' 2026-02-10T11:43:12,362 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz' 2026-02-10T11:43:12,363 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz' 2026-02-10T11:43:12,364 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz' 2026-02-10T11:43:12,365 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz' 2026-02-10T11:43:12,366 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz' 2026-02-10T11:43:12,367 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz' 2026-02-10T11:43:12,368 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz' 2026-02-10T11:43:12,369 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz' 2026-02-10T11:43:12,370 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz' 2026-02-10T11:43:12,371 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz' 2026-02-10T11:43:12,372 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz' 2026-02-10T11:43:12,373 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz' 2026-02-10T11:43:12,374 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz' 2026-02-10T11:43:12,375 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz' 2026-02-10T11:43:12,376 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz' 2026-02-10T11:43:12,378 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz' 2026-02-10T11:43:12,379 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz' 2026-02-10T11:43:12,380 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz' 2026-02-10T11:43:12,381 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz' 2026-02-10T11:43:12,382 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz' 2026-02-10T11:43:12,383 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz' 2026-02-10T11:43:12,384 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz' 2026-02-10T11:43:12,385 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz' 2026-02-10T11:43:12,386 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz' 2026-02-10T11:43:12,388 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz' 2026-02-10T11:43:12,389 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz' 2026-02-10T11:43:12,390 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz' 2026-02-10T11:43:12,391 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz' 2026-02-10T11:43:12,392 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz' 2026-02-10T11:43:12,393 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz' 2026-02-10T11:43:12,394 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz' 2026-02-10T11:43:12,395 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz' 2026-02-10T11:43:12,396 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz' 2026-02-10T11:43:12,398 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz' 2026-02-10T11:43:12,399 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz' 2026-02-10T11:43:12,400 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz' 2026-02-10T11:43:12,401 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz' 2026-02-10T11:43:12,402 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz' 2026-02-10T11:43:12,403 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz' 2026-02-10T11:43:12,404 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz' 2026-02-10T11:43:12,405 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz' 2026-02-10T11:43:12,406 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz' 2026-02-10T11:43:12,407 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz' 2026-02-10T11:43:12,409 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz' 2026-02-10T11:43:12,410 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz' 2026-02-10T11:43:12,411 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz' 2026-02-10T11:43:12,412 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz' 2026-02-10T11:43:12,413 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz' 2026-02-10T11:43:12,414 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz' 2026-02-10T11:43:12,415 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz' 2026-02-10T11:43:12,416 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz' 2026-02-10T11:43:12,417 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz' 2026-02-10T11:43:12,418 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz' 2026-02-10T11:43:12,419 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz' 2026-02-10T11:43:12,420 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz' 2026-02-10T11:43:12,421 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz' 2026-02-10T11:43:12,422 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz' 2026-02-10T11:43:12,423 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz' 2026-02-10T11:43:12,424 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz' 2026-02-10T11:43:12,425 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz' 2026-02-10T11:43:12,427 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz' 2026-02-10T11:43:12,428 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz' 2026-02-10T11:43:12,429 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz' 2026-02-10T11:43:12,430 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz' 2026-02-10T11:43:12,431 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz' 2026-02-10T11:43:12,432 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz' 2026-02-10T11:43:12,433 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz' 2026-02-10T11:43:12,434 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz' 2026-02-10T11:43:12,435 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz' 2026-02-10T11:43:12,436 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz' 2026-02-10T11:43:12,437 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz' 2026-02-10T11:43:12,438 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz' 2026-02-10T11:43:12,440 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz' 2026-02-10T11:43:12,441 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz' 2026-02-10T11:43:12,442 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz' 2026-02-10T11:43:12,443 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz' 2026-02-10T11:43:12,444 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz' 2026-02-10T11:43:12,445 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz' 2026-02-10T11:43:12,446 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz' 2026-02-10T11:43:12,448 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz' 2026-02-10T11:43:12,449 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz' 2026-02-10T11:43:12,450 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz' 2026-02-10T11:43:12,451 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz' 2026-02-10T11:43:12,452 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz' 2026-02-10T11:43:12,453 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz' 2026-02-10T11:43:12,454 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz' 2026-02-10T11:43:12,456 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz' 2026-02-10T11:43:12,457 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz' 2026-02-10T11:43:12,458 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz' 2026-02-10T11:43:12,459 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz' 2026-02-10T11:43:12,460 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz' 2026-02-10T11:43:12,461 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz' 2026-02-10T11:43:12,462 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz' 2026-02-10T11:43:12,463 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz' 2026-02-10T11:43:12,465 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz' 2026-02-10T11:43:12,466 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz' 2026-02-10T11:43:12,467 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz' 2026-02-10T11:43:12,468 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz' 2026-02-10T11:43:12,469 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz' 2026-02-10T11:43:12,470 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz' 2026-02-10T11:43:12,471 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz' 2026-02-10T11:43:12,472 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz' 2026-02-10T11:43:12,473 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz' 2026-02-10T11:43:12,474 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz' 2026-02-10T11:43:12,475 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz' 2026-02-10T11:43:12,476 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz' 2026-02-10T11:43:12,478 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz' 2026-02-10T11:43:12,479 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz' 2026-02-10T11:43:12,480 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz' 2026-02-10T11:43:12,481 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz' 2026-02-10T11:43:12,482 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz' 2026-02-10T11:43:12,483 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz' 2026-02-10T11:43:12,484 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz' 2026-02-10T11:43:12,485 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz' 2026-02-10T11:43:12,486 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz' 2026-02-10T11:43:12,487 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz' 2026-02-10T11:43:12,488 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz' 2026-02-10T11:43:12,489 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz' 2026-02-10T11:43:12,491 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz' 2026-02-10T11:43:12,492 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz' 2026-02-10T11:43:12,493 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz' 2026-02-10T11:43:12,494 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz' 2026-02-10T11:43:12,495 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz' 2026-02-10T11:43:12,496 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz' 2026-02-10T11:43:12,497 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz' 2026-02-10T11:43:12,499 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz' 2026-02-10T11:43:12,500 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz' 2026-02-10T11:43:12,501 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz' 2026-02-10T11:43:12,503 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz' 2026-02-10T11:43:12,504 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz' 2026-02-10T11:43:12,505 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz' 2026-02-10T11:43:12,506 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz' 2026-02-10T11:43:12,507 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz' 2026-02-10T11:43:12,508 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz' 2026-02-10T11:43:12,510 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz' 2026-02-10T11:43:12,511 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz' 2026-02-10T11:43:12,512 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz' 2026-02-10T11:43:12,513 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz' 2026-02-10T11:43:12,514 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz' 2026-02-10T11:43:12,515 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz' 2026-02-10T11:43:12,516 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz' 2026-02-10T11:43:12,517 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz' 2026-02-10T11:43:12,518 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz' 2026-02-10T11:43:12,519 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz' 2026-02-10T11:43:12,520 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz' 2026-02-10T11:43:12,522 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz' 2026-02-10T11:43:12,523 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz' 2026-02-10T11:43:12,524 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz' 2026-02-10T11:43:12,525 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz' 2026-02-10T11:43:12,526 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz' 2026-02-10T11:43:12,527 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz' 2026-02-10T11:43:12,528 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz' 2026-02-10T11:43:12,529 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz' 2026-02-10T11:43:12,530 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz' 2026-02-10T11:43:12,531 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz' 2026-02-10T11:43:12,532 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz' 2026-02-10T11:43:12,534 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz' 2026-02-10T11:43:12,535 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz' 2026-02-10T11:43:12,536 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz' 2026-02-10T11:43:12,537 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz' 2026-02-10T11:43:12,538 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz' 2026-02-10T11:43:12,539 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz' 2026-02-10T11:43:12,540 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz' 2026-02-10T11:43:12,541 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz' 2026-02-10T11:43:12,542 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz' 2026-02-10T11:43:12,543 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz' 2026-02-10T11:43:12,545 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz' 2026-02-10T11:43:12,546 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz' 2026-02-10T11:43:12,547 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz' 2026-02-10T11:43:12,548 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz' 2026-02-10T11:43:12,550 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz' 2026-02-10T11:43:12,551 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz' 2026-02-10T11:43:12,552 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz' 2026-02-10T11:43:12,553 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz' 2026-02-10T11:43:12,554 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz' 2026-02-10T11:43:12,555 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz' 2026-02-10T11:43:12,556 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz' 2026-02-10T11:43:12,557 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz' 2026-02-10T11:43:12,558 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz' 2026-02-10T11:43:12,560 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz' 2026-02-10T11:43:12,561 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz' 2026-02-10T11:43:12,562 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz' 2026-02-10T11:43:12,563 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz' 2026-02-10T11:43:12,564 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz' 2026-02-10T11:43:12,565 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz' 2026-02-10T11:43:12,566 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz' 2026-02-10T11:43:12,567 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz' 2026-02-10T11:43:12,568 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz' 2026-02-10T11:43:12,569 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz' 2026-02-10T11:43:12,570 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz' 2026-02-10T11:43:12,571 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz' 2026-02-10T11:43:12,572 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz' 2026-02-10T11:43:12,573 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz' 2026-02-10T11:43:12,574 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz' 2026-02-10T11:43:12,575 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz' 2026-02-10T11:43:12,576 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz' 2026-02-10T11:43:12,577 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz' 2026-02-10T11:43:12,578 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz' 2026-02-10T11:43:12,579 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz' 2026-02-10T11:43:12,580 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz' 2026-02-10T11:43:12,581 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz' 2026-02-10T11:43:12,583 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz' 2026-02-10T11:43:12,584 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz' 2026-02-10T11:43:12,585 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz' 2026-02-10T11:43:12,586 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz' 2026-02-10T11:43:12,587 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz' 2026-02-10T11:43:12,588 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz' 2026-02-10T11:43:12,589 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz' 2026-02-10T11:43:12,591 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz' 2026-02-10T11:43:12,592 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz' 2026-02-10T11:43:12,593 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz' 2026-02-10T11:43:12,594 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz' 2026-02-10T11:43:12,596 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz' 2026-02-10T11:43:12,598 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz' 2026-02-10T11:43:12,599 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz' 2026-02-10T11:43:12,601 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz' 2026-02-10T11:43:12,602 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz' 2026-02-10T11:43:12,603 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz' 2026-02-10T11:43:12,605 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz' 2026-02-10T11:43:12,606 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz' 2026-02-10T11:43:12,607 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz' 2026-02-10T11:43:12,609 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz' 2026-02-10T11:43:12,610 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz' 2026-02-10T11:43:12,611 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz' 2026-02-10T11:43:12,612 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz' 2026-02-10T11:43:12,613 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz' 2026-02-10T11:43:12,614 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz' 2026-02-10T11:43:12,615 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz' 2026-02-10T11:43:12,616 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz' 2026-02-10T11:43:12,617 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz' 2026-02-10T11:43:12,618 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz' 2026-02-10T11:43:12,619 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz' 2026-02-10T11:43:12,620 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz' 2026-02-10T11:43:12,621 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz' 2026-02-10T11:43:12,622 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz' 2026-02-10T11:43:12,623 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz' 2026-02-10T11:43:12,625 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz' 2026-02-10T11:43:12,626 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz' 2026-02-10T11:43:12,627 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz' 2026-02-10T11:43:12,628 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz' 2026-02-10T11:43:12,629 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz' 2026-02-10T11:43:12,630 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz' 2026-02-10T11:43:12,631 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz' 2026-02-10T11:43:12,632 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz' 2026-02-10T11:43:12,634 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz' 2026-02-10T11:43:12,635 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz' 2026-02-10T11:43:12,636 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz' 2026-02-10T11:43:12,637 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz' 2026-02-10T11:43:12,638 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz' 2026-02-10T11:43:12,639 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz' 2026-02-10T11:43:12,640 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz' 2026-02-10T11:43:12,641 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz' 2026-02-10T11:43:12,642 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz' 2026-02-10T11:43:12,644 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz' 2026-02-10T11:43:12,645 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz' 2026-02-10T11:43:12,646 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz' 2026-02-10T11:43:12,647 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz' 2026-02-10T11:43:12,649 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz' 2026-02-10T11:43:12,650 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz' 2026-02-10T11:43:12,651 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz' 2026-02-10T11:43:12,653 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz' 2026-02-10T11:43:12,654 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz' 2026-02-10T11:43:12,655 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz' 2026-02-10T11:43:12,657 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz' 2026-02-10T11:43:12,658 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz' 2026-02-10T11:43:12,659 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz' 2026-02-10T11:43:12,660 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz' 2026-02-10T11:43:12,661 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz' 2026-02-10T11:43:12,662 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz' 2026-02-10T11:43:12,664 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz' 2026-02-10T11:43:12,665 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz' 2026-02-10T11:43:12,666 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz' 2026-02-10T11:43:12,667 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz' 2026-02-10T11:43:12,667 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz' 2026-02-10T11:43:12,668 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz' 2026-02-10T11:43:12,670 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz' 2026-02-10T11:43:12,671 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz' 2026-02-10T11:43:12,672 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz' 2026-02-10T11:43:12,673 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz' 2026-02-10T11:43:12,674 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz' 2026-02-10T11:43:12,675 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz' 2026-02-10T11:43:12,676 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz' 2026-02-10T11:43:12,677 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz' 2026-02-10T11:43:12,678 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz' 2026-02-10T11:43:12,679 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz' 2026-02-10T11:43:12,680 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz' 2026-02-10T11:43:12,681 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz' 2026-02-10T11:43:12,682 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz' 2026-02-10T11:43:12,684 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz' 2026-02-10T11:43:12,685 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz' 2026-02-10T11:43:12,686 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz' 2026-02-10T11:43:12,687 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz' 2026-02-10T11:43:12,688 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz' 2026-02-10T11:43:12,690 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz' 2026-02-10T11:43:12,691 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz' 2026-02-10T11:43:12,692 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz' 2026-02-10T11:43:12,693 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz' 2026-02-10T11:43:12,694 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz' 2026-02-10T11:43:12,696 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz' 2026-02-10T11:43:12,697 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz' 2026-02-10T11:43:12,698 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz' 2026-02-10T11:43:12,699 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz' 2026-02-10T11:43:12,700 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz' 2026-02-10T11:43:12,701 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz' 2026-02-10T11:43:12,702 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz' 2026-02-10T11:43:12,703 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz' 2026-02-10T11:43:12,705 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz' 2026-02-10T11:43:12,706 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz' 2026-02-10T11:43:12,707 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz' 2026-02-10T11:43:12,708 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz' 2026-02-10T11:43:12,711 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz' 2026-02-10T11:43:12,712 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz' 2026-02-10T11:43:12,713 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz' 2026-02-10T11:43:12,715 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz' 2026-02-10T11:43:12,716 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz' 2026-02-10T11:43:12,717 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz' 2026-02-10T11:43:12,718 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz' 2026-02-10T11:43:12,719 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz' 2026-02-10T11:43:12,720 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz' 2026-02-10T11:43:12,721 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz' 2026-02-10T11:43:12,722 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz' 2026-02-10T11:43:12,723 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz' 2026-02-10T11:43:12,725 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz' 2026-02-10T11:43:12,726 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz' 2026-02-10T11:43:12,727 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz' 2026-02-10T11:43:12,728 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz' 2026-02-10T11:43:12,729 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz' 2026-02-10T11:43:12,730 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz' 2026-02-10T11:43:12,731 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz' 2026-02-10T11:43:12,732 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz' 2026-02-10T11:43:12,733 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz' 2026-02-10T11:43:12,734 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz' 2026-02-10T11:43:12,736 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz' 2026-02-10T11:43:12,737 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz' 2026-02-10T11:43:12,738 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz' 2026-02-10T11:43:12,739 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz' 2026-02-10T11:43:12,740 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz' 2026-02-10T11:43:12,741 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz' 2026-02-10T11:43:12,743 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz' 2026-02-10T11:43:12,744 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz' 2026-02-10T11:43:12,745 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz' 2026-02-10T11:43:12,746 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz' 2026-02-10T11:43:12,747 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz' 2026-02-10T11:43:12,749 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz' 2026-02-10T11:43:12,750 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz' 2026-02-10T11:43:12,751 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz' 2026-02-10T11:43:12,752 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz' 2026-02-10T11:43:12,753 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz' 2026-02-10T11:43:12,754 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz' 2026-02-10T11:43:12,755 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz' 2026-02-10T11:43:12,757 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz' 2026-02-10T11:43:12,758 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz' 2026-02-10T11:43:12,759 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz' 2026-02-10T11:43:12,760 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz' 2026-02-10T11:43:12,761 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz' 2026-02-10T11:43:12,762 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz' 2026-02-10T11:43:12,763 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz' 2026-02-10T11:43:12,764 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz' 2026-02-10T11:43:12,765 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz' 2026-02-10T11:43:12,766 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz' 2026-02-10T11:43:12,768 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz' 2026-02-10T11:43:12,769 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz' 2026-02-10T11:43:12,770 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz' 2026-02-10T11:43:12,771 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz' 2026-02-10T11:43:12,772 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz' 2026-02-10T11:43:12,773 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz' 2026-02-10T11:43:12,774 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz' 2026-02-10T11:43:12,776 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz' 2026-02-10T11:43:12,777 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz' 2026-02-10T11:43:12,778 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz' 2026-02-10T11:43:12,779 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz' 2026-02-10T11:43:12,780 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz' 2026-02-10T11:43:12,781 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz' 2026-02-10T11:43:12,782 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz' 2026-02-10T11:43:12,784 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz' 2026-02-10T11:43:12,785 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz' 2026-02-10T11:43:12,813 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz' 2026-02-10T11:43:12,815 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz' 2026-02-10T11:43:12,816 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz' 2026-02-10T11:43:12,817 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz' 2026-02-10T11:43:12,818 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz' 2026-02-10T11:43:12,819 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz' 2026-02-10T11:43:12,820 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz' 2026-02-10T11:43:12,821 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz' 2026-02-10T11:43:12,823 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz' 2026-02-10T11:43:12,824 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz' 2026-02-10T11:43:12,825 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz' 2026-02-10T11:43:12,826 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz' 2026-02-10T11:43:12,827 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz' 2026-02-10T11:43:12,829 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz' 2026-02-10T11:43:12,830 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz' 2026-02-10T11:43:12,831 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz' 2026-02-10T11:43:12,832 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz' 2026-02-10T11:43:12,834 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz' 2026-02-10T11:43:12,835 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz' 2026-02-10T11:43:12,836 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz' 2026-02-10T11:43:12,837 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz' 2026-02-10T11:43:12,838 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz' 2026-02-10T11:43:12,839 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz' 2026-02-10T11:43:12,841 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz' 2026-02-10T11:43:12,842 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz' 2026-02-10T11:43:12,843 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz' 2026-02-10T11:43:12,845 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz' 2026-02-10T11:43:12,847 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz' 2026-02-10T11:43:12,849 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz' 2026-02-10T11:43:12,850 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz' 2026-02-10T11:43:12,851 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz' 2026-02-10T11:43:12,852 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz' 2026-02-10T11:43:12,853 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz' 2026-02-10T11:43:12,855 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz' 2026-02-10T11:43:12,856 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz' 2026-02-10T11:43:12,857 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz' 2026-02-10T11:43:12,858 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz' 2026-02-10T11:43:12,859 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz' 2026-02-10T11:43:12,860 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz' 2026-02-10T11:43:12,862 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz' 2026-02-10T11:43:12,863 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz' 2026-02-10T11:43:12,864 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz' 2026-02-10T11:43:12,865 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz' 2026-02-10T11:43:12,866 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz' 2026-02-10T11:43:12,867 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz' 2026-02-10T11:43:12,869 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz' 2026-02-10T11:43:12,870 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz' 2026-02-10T11:43:12,871 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz' 2026-02-10T11:43:12,872 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz' 2026-02-10T11:43:12,874 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz' 2026-02-10T11:43:12,875 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz' 2026-02-10T11:43:12,876 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz' 2026-02-10T11:43:12,877 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz' 2026-02-10T11:43:12,878 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz' 2026-02-10T11:43:12,879 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz' 2026-02-10T11:43:12,880 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz' 2026-02-10T11:43:12,881 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz' 2026-02-10T11:43:12,882 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz' 2026-02-10T11:43:12,883 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz' 2026-02-10T11:43:12,885 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz' 2026-02-10T11:43:12,886 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz' 2026-02-10T11:43:12,887 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz' 2026-02-10T11:43:12,888 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz' 2026-02-10T11:43:12,889 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz' 2026-02-10T11:43:12,890 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz' 2026-02-10T11:43:12,892 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz' 2026-02-10T11:43:12,893 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz' 2026-02-10T11:43:12,894 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz' 2026-02-10T11:43:12,895 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz' 2026-02-10T11:43:12,896 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz' 2026-02-10T11:43:12,897 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz' 2026-02-10T11:43:12,898 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz' 2026-02-10T11:43:12,900 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz' 2026-02-10T11:43:12,901 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz' 2026-02-10T11:43:12,902 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz' 2026-02-10T11:43:12,903 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz' 2026-02-10T11:43:12,904 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz' 2026-02-10T11:43:12,905 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz' 2026-02-10T11:43:12,906 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz' 2026-02-10T11:43:12,908 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz' 2026-02-10T11:43:12,909 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz' 2026-02-10T11:43:12,910 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz' 2026-02-10T11:43:12,911 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz' 2026-02-10T11:43:12,912 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz' 2026-02-10T11:43:12,913 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz' 2026-02-10T11:43:12,915 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz' 2026-02-10T11:43:12,916 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz' 2026-02-10T11:43:12,917 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz' 2026-02-10T11:43:12,918 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz' 2026-02-10T11:43:12,919 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz' 2026-02-10T11:43:12,920 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz' 2026-02-10T11:43:12,921 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz' 2026-02-10T11:43:12,922 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz' 2026-02-10T11:43:12,923 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz' 2026-02-10T11:43:12,925 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz' 2026-02-10T11:43:12,926 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz' 2026-02-10T11:43:12,927 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz' 2026-02-10T11:43:12,928 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz' 2026-02-10T11:43:12,929 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz' 2026-02-10T11:43:12,930 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz' 2026-02-10T11:43:12,931 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz' 2026-02-10T11:43:12,933 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz' 2026-02-10T11:43:12,934 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz' 2026-02-10T11:43:12,935 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz' 2026-02-10T11:43:12,936 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz' 2026-02-10T11:43:12,937 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz' 2026-02-10T11:43:12,938 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz' 2026-02-10T11:43:12,939 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz' 2026-02-10T11:43:12,941 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz' 2026-02-10T11:43:12,942 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz' 2026-02-10T11:43:12,943 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz' 2026-02-10T11:43:12,944 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz' 2026-02-10T11:43:12,945 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz' 2026-02-10T11:43:12,946 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz' 2026-02-10T11:43:12,948 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz' 2026-02-10T11:43:12,949 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz' 2026-02-10T11:43:12,950 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz' 2026-02-10T11:43:12,951 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz' 2026-02-10T11:43:12,952 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz' 2026-02-10T11:43:12,953 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz' 2026-02-10T11:43:12,955 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz' 2026-02-10T11:43:12,956 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz' 2026-02-10T11:43:12,957 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz' 2026-02-10T11:43:12,958 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz' 2026-02-10T11:43:12,959 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz' 2026-02-10T11:43:12,961 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz' 2026-02-10T11:43:12,962 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz' 2026-02-10T11:43:12,963 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz' 2026-02-10T11:43:12,964 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz' 2026-02-10T11:43:12,965 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz' 2026-02-10T11:43:12,966 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz' 2026-02-10T11:43:12,967 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz' 2026-02-10T11:43:12,969 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz' 2026-02-10T11:43:12,970 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz' 2026-02-10T11:43:12,971 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz' 2026-02-10T11:43:12,972 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz' 2026-02-10T11:43:12,973 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz' 2026-02-10T11:43:12,974 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz' 2026-02-10T11:43:12,975 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz' 2026-02-10T11:43:12,976 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz' 2026-02-10T11:43:12,978 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz' 2026-02-10T11:43:12,979 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz' 2026-02-10T11:43:12,980 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz' 2026-02-10T11:43:12,981 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz' 2026-02-10T11:43:12,982 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz' 2026-02-10T11:43:12,984 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz' 2026-02-10T11:43:12,985 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz' 2026-02-10T11:43:12,986 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz' 2026-02-10T11:43:12,988 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz' 2026-02-10T11:43:12,989 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz' 2026-02-10T11:43:12,990 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz' 2026-02-10T11:43:12,991 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz' 2026-02-10T11:43:12,992 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz' 2026-02-10T11:43:12,993 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz' 2026-02-10T11:43:12,995 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz' 2026-02-10T11:43:12,996 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz' 2026-02-10T11:43:12,997 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz' 2026-02-10T11:43:12,998 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz' 2026-02-10T11:43:12,999 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz' 2026-02-10T11:43:13,000 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz' 2026-02-10T11:43:13,002 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz' 2026-02-10T11:43:13,003 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz' 2026-02-10T11:43:13,004 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz' 2026-02-10T11:43:13,005 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz' 2026-02-10T11:43:13,007 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz' 2026-02-10T11:43:13,008 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz' 2026-02-10T11:43:13,009 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz' 2026-02-10T11:43:13,010 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz' 2026-02-10T11:43:13,011 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz' 2026-02-10T11:43:13,012 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz' 2026-02-10T11:43:13,013 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz' 2026-02-10T11:43:13,014 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz' 2026-02-10T11:43:13,015 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz' 2026-02-10T11:43:13,017 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz' 2026-02-10T11:43:13,018 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz' 2026-02-10T11:43:13,019 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz' 2026-02-10T11:43:13,020 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz' 2026-02-10T11:43:13,021 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz' 2026-02-10T11:43:13,022 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz' 2026-02-10T11:43:13,023 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz' 2026-02-10T11:43:13,025 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz' 2026-02-10T11:43:13,026 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz' 2026-02-10T11:43:13,027 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz' 2026-02-10T11:43:13,028 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz' 2026-02-10T11:43:13,029 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz' 2026-02-10T11:43:13,031 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz' 2026-02-10T11:43:13,032 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz' 2026-02-10T11:43:13,033 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz' 2026-02-10T11:43:13,034 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz' 2026-02-10T11:43:13,035 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz' 2026-02-10T11:43:13,036 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz' 2026-02-10T11:43:13,038 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz' 2026-02-10T11:43:13,039 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz' 2026-02-10T11:43:13,040 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz' 2026-02-10T11:43:13,041 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz' 2026-02-10T11:43:13,042 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz' 2026-02-10T11:43:13,044 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz' 2026-02-10T11:43:13,045 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz' 2026-02-10T11:43:13,046 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz' 2026-02-10T11:43:13,047 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz' 2026-02-10T11:43:13,048 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz' 2026-02-10T11:43:13,049 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz' 2026-02-10T11:43:13,051 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz' 2026-02-10T11:43:13,052 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz' 2026-02-10T11:43:13,053 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz' 2026-02-10T11:43:13,054 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz' 2026-02-10T11:43:13,055 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz' 2026-02-10T11:43:13,056 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz' 2026-02-10T11:43:13,057 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz' 2026-02-10T11:43:13,058 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz' 2026-02-10T11:43:13,060 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz' 2026-02-10T11:43:13,061 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz' 2026-02-10T11:43:13,062 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz' 2026-02-10T11:43:13,063 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz' 2026-02-10T11:43:13,064 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz' 2026-02-10T11:43:13,065 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz' 2026-02-10T11:43:13,066 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz' 2026-02-10T11:43:13,067 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz' 2026-02-10T11:43:13,069 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz' 2026-02-10T11:43:13,070 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz' 2026-02-10T11:43:13,071 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz' 2026-02-10T11:43:13,072 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz' 2026-02-10T11:43:13,073 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz' 2026-02-10T11:43:13,074 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz' 2026-02-10T11:43:13,076 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz' 2026-02-10T11:43:13,077 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz' 2026-02-10T11:43:13,078 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz' 2026-02-10T11:43:13,079 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz' 2026-02-10T11:43:13,080 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz' 2026-02-10T11:43:13,082 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz' 2026-02-10T11:43:13,083 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz' 2026-02-10T11:43:13,084 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz' 2026-02-10T11:43:13,085 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz' 2026-02-10T11:43:13,086 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz' 2026-02-10T11:43:13,088 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz' 2026-02-10T11:43:13,089 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz' 2026-02-10T11:43:13,090 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz' 2026-02-10T11:43:13,091 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz' 2026-02-10T11:43:13,093 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz' 2026-02-10T11:43:13,094 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz' 2026-02-10T11:43:13,095 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz' 2026-02-10T11:43:13,096 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz' 2026-02-10T11:43:13,097 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz' 2026-02-10T11:43:13,098 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz' 2026-02-10T11:43:13,099 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz' 2026-02-10T11:43:13,100 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz' 2026-02-10T11:43:13,102 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz' 2026-02-10T11:43:13,103 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz' 2026-02-10T11:43:13,104 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz' 2026-02-10T11:43:13,105 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz' 2026-02-10T11:43:13,106 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz' 2026-02-10T11:43:13,107 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz' 2026-02-10T11:43:13,109 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz' 2026-02-10T11:43:13,110 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz' 2026-02-10T11:43:13,111 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz' 2026-02-10T11:43:13,112 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz' 2026-02-10T11:43:13,113 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz' 2026-02-10T11:43:13,115 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz' 2026-02-10T11:43:13,116 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz' 2026-02-10T11:43:13,117 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz' 2026-02-10T11:43:13,118 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz' 2026-02-10T11:43:13,119 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz' 2026-02-10T11:43:13,121 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz' 2026-02-10T11:43:13,122 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz' 2026-02-10T11:43:13,123 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz' 2026-02-10T11:43:13,124 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz' 2026-02-10T11:43:13,126 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz' 2026-02-10T11:43:13,127 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz' 2026-02-10T11:43:13,128 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz' 2026-02-10T11:43:13,129 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz' 2026-02-10T11:43:13,131 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz' 2026-02-10T11:43:13,132 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz' 2026-02-10T11:43:13,133 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz' 2026-02-10T11:43:13,134 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz' 2026-02-10T11:43:13,135 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz' 2026-02-10T11:43:13,137 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz' 2026-02-10T11:43:13,138 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz' 2026-02-10T11:43:13,139 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz' 2026-02-10T11:43:13,140 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz' 2026-02-10T11:43:13,141 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz' 2026-02-10T11:43:13,143 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz' 2026-02-10T11:43:13,144 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz' 2026-02-10T11:43:13,145 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz' 2026-02-10T11:43:13,146 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz' 2026-02-10T11:43:13,147 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz' 2026-02-10T11:43:13,149 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz' 2026-02-10T11:43:13,150 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz' 2026-02-10T11:43:13,151 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz' 2026-02-10T11:43:13,152 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz' 2026-02-10T11:43:13,154 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz' 2026-02-10T11:43:13,155 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz' 2026-02-10T11:43:13,156 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz' 2026-02-10T11:43:13,157 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz' 2026-02-10T11:43:13,158 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz' 2026-02-10T11:43:13,160 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz' 2026-02-10T11:43:13,161 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz' 2026-02-10T11:43:13,162 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz' 2026-02-10T11:43:13,163 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz' 2026-02-10T11:43:13,164 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz' 2026-02-10T11:43:13,166 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz' 2026-02-10T11:43:13,167 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz' 2026-02-10T11:43:13,168 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz' 2026-02-10T11:43:13,169 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz' 2026-02-10T11:43:13,171 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz' 2026-02-10T11:43:13,172 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz' 2026-02-10T11:43:13,173 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz' 2026-02-10T11:43:13,175 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz' 2026-02-10T11:43:13,176 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz' 2026-02-10T11:43:13,177 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz' 2026-02-10T11:43:13,178 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz' 2026-02-10T11:43:13,179 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz' 2026-02-10T11:43:13,181 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz' 2026-02-10T11:43:13,182 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz' 2026-02-10T11:43:13,183 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz' 2026-02-10T11:43:13,184 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz' 2026-02-10T11:43:13,185 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz' 2026-02-10T11:43:13,186 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz' 2026-02-10T11:43:13,188 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz' 2026-02-10T11:43:13,189 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz' 2026-02-10T11:43:13,190 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz' 2026-02-10T11:43:13,191 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz' 2026-02-10T11:43:13,193 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz' 2026-02-10T11:43:13,194 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz' 2026-02-10T11:43:13,195 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz' 2026-02-10T11:43:13,196 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz' 2026-02-10T11:43:13,198 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz' 2026-02-10T11:43:13,199 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz' 2026-02-10T11:43:13,200 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz' 2026-02-10T11:43:13,201 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz' 2026-02-10T11:43:13,202 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz' 2026-02-10T11:43:13,204 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,205 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,206 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,207 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,209 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,210 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,211 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,212 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,214 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,215 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,216 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,218 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,219 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,220 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,221 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,223 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,224 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,226 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,227 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,228 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,230 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,231 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,232 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,234 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,235 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,236 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,238 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,239 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,240 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,241 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,242 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,244 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,245 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,246 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,248 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,249 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,250 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,251 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,253 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,254 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,255 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,256 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,258 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,259 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,260 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,261 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,263 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,264 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,266 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,267 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,268 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,270 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,271 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,272 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,273 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,275 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,276 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,277 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,279 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,280 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,281 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,282 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,283 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,285 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,286 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,287 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,288 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,289 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,291 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,292 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,293 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,295 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,296 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,297 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,298 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,299 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,301 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,302 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,303 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,305 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,306 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,307 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,309 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,310 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,311 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,313 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,314 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,316 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,317 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,318 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,320 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,321 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,322 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,323 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,325 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,326 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,327 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,328 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,330 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,331 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,332 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,333 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,334 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,336 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,337 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,338 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,339 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,340 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,342 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,343 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,344 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,345 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,347 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,348 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,349 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,350 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,351 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,352 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,354 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,355 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,356 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz' 2026-02-10T11:43:13,357 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz' 2026-02-10T11:43:13,359 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz' 2026-02-10T11:43:13,360 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz' 2026-02-10T11:43:13,361 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz' 2026-02-10T11:43:13,362 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz' 2026-02-10T11:43:13,363 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz' 2026-02-10T11:43:13,364 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz' 2026-02-10T11:43:13,366 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz' 2026-02-10T11:43:13,367 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz' 2026-02-10T11:43:13,368 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz' 2026-02-10T11:43:13,369 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz' 2026-02-10T11:43:13,370 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz' 2026-02-10T11:43:13,371 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz' 2026-02-10T11:43:13,372 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz' 2026-02-10T11:43:13,373 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz' 2026-02-10T11:43:13,375 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz' 2026-02-10T11:43:13,376 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz' 2026-02-10T11:43:13,377 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz' 2026-02-10T11:43:13,378 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz' 2026-02-10T11:43:13,379 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz' 2026-02-10T11:43:13,380 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz' 2026-02-10T11:43:13,382 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz' 2026-02-10T11:43:13,383 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz' 2026-02-10T11:43:13,384 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz' 2026-02-10T11:43:13,385 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz' 2026-02-10T11:43:13,386 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz' 2026-02-10T11:43:13,388 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz' 2026-02-10T11:43:13,389 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz' 2026-02-10T11:43:13,390 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz' 2026-02-10T11:43:13,391 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz' 2026-02-10T11:43:13,392 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz' 2026-02-10T11:43:13,394 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz' 2026-02-10T11:43:13,395 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz' 2026-02-10T11:43:13,396 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz' 2026-02-10T11:43:13,398 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz' 2026-02-10T11:43:13,399 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz' 2026-02-10T11:43:13,401 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz' 2026-02-10T11:43:13,402 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz' 2026-02-10T11:43:13,403 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz' 2026-02-10T11:43:13,404 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz' 2026-02-10T11:43:13,405 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz' 2026-02-10T11:43:13,406 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz' 2026-02-10T11:43:13,407 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz' 2026-02-10T11:43:13,409 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz' 2026-02-10T11:43:13,410 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz' 2026-02-10T11:43:13,411 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz' 2026-02-10T11:43:13,412 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz' 2026-02-10T11:43:13,413 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz' 2026-02-10T11:43:13,414 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz' 2026-02-10T11:43:13,416 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz' 2026-02-10T11:43:13,417 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz' 2026-02-10T11:43:13,418 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz' 2026-02-10T11:43:13,419 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz' 2026-02-10T11:43:13,420 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz' 2026-02-10T11:43:13,421 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz' 2026-02-10T11:43:13,422 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz' 2026-02-10T11:43:13,423 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz' 2026-02-10T11:43:13,425 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz' 2026-02-10T11:43:13,426 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz' 2026-02-10T11:43:13,427 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz' 2026-02-10T11:43:13,428 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz' 2026-02-10T11:43:13,430 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz' 2026-02-10T11:43:13,431 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz' 2026-02-10T11:43:13,432 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz' 2026-02-10T11:43:13,433 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz' 2026-02-10T11:43:13,435 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz' 2026-02-10T11:43:13,436 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz' 2026-02-10T11:43:13,437 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz' 2026-02-10T11:43:13,438 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz' 2026-02-10T11:43:13,439 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz' 2026-02-10T11:43:13,441 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz' 2026-02-10T11:43:13,442 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz' 2026-02-10T11:43:13,443 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz' 2026-02-10T11:43:13,445 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz' 2026-02-10T11:43:13,446 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz' 2026-02-10T11:43:13,447 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz' 2026-02-10T11:43:13,448 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz' 2026-02-10T11:43:13,449 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz' 2026-02-10T11:43:13,450 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz' 2026-02-10T11:43:13,451 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz' 2026-02-10T11:43:13,452 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz' 2026-02-10T11:43:13,454 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz' 2026-02-10T11:43:13,455 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz' 2026-02-10T11:43:13,456 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz' 2026-02-10T11:43:13,457 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz' 2026-02-10T11:43:13,458 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz' 2026-02-10T11:43:13,459 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz' 2026-02-10T11:43:13,460 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz' 2026-02-10T11:43:13,462 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz' 2026-02-10T11:43:13,463 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz' 2026-02-10T11:43:13,464 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz' 2026-02-10T11:43:13,465 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz' 2026-02-10T11:43:13,467 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz' 2026-02-10T11:43:13,468 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz' 2026-02-10T11:43:13,469 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz' 2026-02-10T11:43:13,470 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz' 2026-02-10T11:43:13,471 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz' 2026-02-10T11:43:13,472 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz' 2026-02-10T11:43:13,474 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz' 2026-02-10T11:43:13,475 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz' 2026-02-10T11:43:13,476 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz' 2026-02-10T11:43:13,478 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz' 2026-02-10T11:43:13,479 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz' 2026-02-10T11:43:13,480 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz' 2026-02-10T11:43:13,481 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz' 2026-02-10T11:43:13,482 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz' 2026-02-10T11:43:13,484 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz' 2026-02-10T11:43:13,485 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz' 2026-02-10T11:43:13,486 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz' 2026-02-10T11:43:13,487 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz' 2026-02-10T11:43:13,489 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz' 2026-02-10T11:43:13,490 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz' 2026-02-10T11:43:13,491 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz' 2026-02-10T11:43:13,492 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz' 2026-02-10T11:43:13,493 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz' 2026-02-10T11:43:13,494 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz' 2026-02-10T11:43:13,496 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz' 2026-02-10T11:43:13,497 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz' 2026-02-10T11:43:13,498 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz' 2026-02-10T11:43:13,499 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz' 2026-02-10T11:43:13,501 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz' 2026-02-10T11:43:13,502 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz' 2026-02-10T11:43:13,503 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz' 2026-02-10T11:43:13,504 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz' 2026-02-10T11:43:13,505 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz' 2026-02-10T11:43:13,507 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz' 2026-02-10T11:43:13,508 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz' 2026-02-10T11:43:13,509 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz' 2026-02-10T11:43:13,510 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz' 2026-02-10T11:43:13,512 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz' 2026-02-10T11:43:13,513 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz' 2026-02-10T11:43:13,514 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz' 2026-02-10T11:43:13,515 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz' 2026-02-10T11:43:13,516 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz' 2026-02-10T11:43:13,517 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz' 2026-02-10T11:43:13,519 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz' 2026-02-10T11:43:13,520 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz' 2026-02-10T11:43:13,521 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz' 2026-02-10T11:43:13,522 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz' 2026-02-10T11:43:13,523 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz' 2026-02-10T11:43:13,524 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz' 2026-02-10T11:43:13,526 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz' 2026-02-10T11:43:13,527 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz' 2026-02-10T11:43:13,528 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz' 2026-02-10T11:43:13,529 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz' 2026-02-10T11:43:13,531 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz' 2026-02-10T11:43:13,532 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz' 2026-02-10T11:43:13,533 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz' 2026-02-10T11:43:13,534 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz' 2026-02-10T11:43:13,535 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz' 2026-02-10T11:43:13,536 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz' 2026-02-10T11:43:13,538 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz' 2026-02-10T11:43:13,539 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz' 2026-02-10T11:43:13,540 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz' 2026-02-10T11:43:13,541 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz' 2026-02-10T11:43:13,542 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz' 2026-02-10T11:43:13,544 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz' 2026-02-10T11:43:13,545 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz' 2026-02-10T11:43:13,546 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz' 2026-02-10T11:43:13,547 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz' 2026-02-10T11:43:13,549 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz' 2026-02-10T11:43:13,550 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz' 2026-02-10T11:43:13,551 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz' 2026-02-10T11:43:13,552 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz' 2026-02-10T11:43:13,553 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz' 2026-02-10T11:43:13,555 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz' 2026-02-10T11:43:13,556 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz' 2026-02-10T11:43:13,557 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz' 2026-02-10T11:43:13,558 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz' 2026-02-10T11:43:13,559 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz' 2026-02-10T11:43:13,561 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz' 2026-02-10T11:43:13,562 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz' 2026-02-10T11:43:13,563 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz' 2026-02-10T11:43:13,564 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz' 2026-02-10T11:43:13,566 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz' 2026-02-10T11:43:13,567 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz' 2026-02-10T11:43:13,568 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz' 2026-02-10T11:43:13,569 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz' 2026-02-10T11:43:13,571 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz' 2026-02-10T11:43:13,572 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz' 2026-02-10T11:43:13,573 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz' 2026-02-10T11:43:13,574 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz' 2026-02-10T11:43:13,576 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz' 2026-02-10T11:43:13,577 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz' 2026-02-10T11:43:13,578 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz' 2026-02-10T11:43:13,579 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz' 2026-02-10T11:43:13,580 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz' 2026-02-10T11:43:13,581 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz' 2026-02-10T11:43:13,582 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz' 2026-02-10T11:43:13,583 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz' 2026-02-10T11:43:13,585 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz' 2026-02-10T11:43:13,586 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz' 2026-02-10T11:43:13,587 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz' 2026-02-10T11:43:13,588 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz' 2026-02-10T11:43:13,589 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz' 2026-02-10T11:43:13,590 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz' 2026-02-10T11:43:13,592 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz' 2026-02-10T11:43:13,593 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz' 2026-02-10T11:43:13,594 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz' 2026-02-10T11:43:13,595 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz' 2026-02-10T11:43:13,596 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz' 2026-02-10T11:43:13,597 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz' 2026-02-10T11:43:13,599 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz' 2026-02-10T11:43:13,600 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz' 2026-02-10T11:43:13,601 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz' 2026-02-10T11:43:13,602 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz' 2026-02-10T11:43:13,603 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz' 2026-02-10T11:43:13,604 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz' 2026-02-10T11:43:13,606 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz' 2026-02-10T11:43:13,608 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz' 2026-02-10T11:43:13,609 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz' 2026-02-10T11:43:13,610 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz' 2026-02-10T11:43:13,611 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz' 2026-02-10T11:43:13,612 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz' 2026-02-10T11:43:13,613 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz' 2026-02-10T11:43:13,615 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz' 2026-02-10T11:43:13,616 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz' 2026-02-10T11:43:13,617 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz' 2026-02-10T11:43:13,618 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz' 2026-02-10T11:43:13,619 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz' 2026-02-10T11:43:13,620 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz' 2026-02-10T11:43:13,622 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz' 2026-02-10T11:43:13,623 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz' 2026-02-10T11:43:13,624 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz' 2026-02-10T11:43:13,625 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz' 2026-02-10T11:43:13,626 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz' 2026-02-10T11:43:13,627 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz' 2026-02-10T11:43:13,628 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz' 2026-02-10T11:43:13,629 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz' 2026-02-10T11:43:13,630 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz' 2026-02-10T11:43:13,632 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz' 2026-02-10T11:43:13,634 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz' 2026-02-10T11:43:13,635 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz' 2026-02-10T11:43:13,636 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz' 2026-02-10T11:43:13,637 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz' 2026-02-10T11:43:13,638 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz' 2026-02-10T11:43:13,639 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz' 2026-02-10T11:43:13,640 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz' 2026-02-10T11:43:13,642 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz' 2026-02-10T11:43:13,643 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz' 2026-02-10T11:43:13,644 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz' 2026-02-10T11:43:13,645 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz' 2026-02-10T11:43:13,646 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz' 2026-02-10T11:43:13,648 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz' 2026-02-10T11:43:13,649 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz' 2026-02-10T11:43:13,650 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz' 2026-02-10T11:43:13,651 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz' 2026-02-10T11:43:13,652 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz' 2026-02-10T11:43:13,654 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz' 2026-02-10T11:43:13,655 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz' 2026-02-10T11:43:13,656 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz' 2026-02-10T11:43:13,658 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz' 2026-02-10T11:43:13,659 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz' 2026-02-10T11:43:13,660 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz' 2026-02-10T11:43:13,661 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz' 2026-02-10T11:43:13,663 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz' 2026-02-10T11:43:13,664 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz' 2026-02-10T11:43:13,665 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz' 2026-02-10T11:43:13,666 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz' 2026-02-10T11:43:13,668 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz' 2026-02-10T11:43:13,669 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz' 2026-02-10T11:43:13,670 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz' 2026-02-10T11:43:13,672 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz' 2026-02-10T11:43:13,674 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz' 2026-02-10T11:43:13,675 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz' 2026-02-10T11:43:13,676 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz' 2026-02-10T11:43:13,677 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz' 2026-02-10T11:43:13,678 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz' 2026-02-10T11:43:13,679 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz' 2026-02-10T11:43:13,680 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz' 2026-02-10T11:43:13,681 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz' 2026-02-10T11:43:13,683 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz' 2026-02-10T11:43:13,684 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz' 2026-02-10T11:43:13,685 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz' 2026-02-10T11:43:13,686 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz' 2026-02-10T11:43:13,687 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz' 2026-02-10T11:43:13,689 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz' 2026-02-10T11:43:13,690 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz' 2026-02-10T11:43:13,691 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz' 2026-02-10T11:43:13,692 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz' 2026-02-10T11:43:13,693 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz' 2026-02-10T11:43:13,695 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz' 2026-02-10T11:43:13,696 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz' 2026-02-10T11:43:13,697 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz' 2026-02-10T11:43:13,698 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz' 2026-02-10T11:43:13,699 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz' 2026-02-10T11:43:13,701 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz' 2026-02-10T11:43:13,702 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz' 2026-02-10T11:43:13,703 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz' 2026-02-10T11:43:13,704 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz' 2026-02-10T11:43:13,706 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz' 2026-02-10T11:43:13,707 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz' 2026-02-10T11:43:13,708 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz' 2026-02-10T11:43:13,710 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz' 2026-02-10T11:43:13,711 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz' 2026-02-10T11:43:13,713 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz' 2026-02-10T11:43:13,714 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz' 2026-02-10T11:43:13,715 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz' 2026-02-10T11:43:13,716 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz' 2026-02-10T11:43:13,718 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz' 2026-02-10T11:43:13,719 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz' 2026-02-10T11:43:13,720 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz' 2026-02-10T11:43:13,721 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz' 2026-02-10T11:43:13,723 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz' 2026-02-10T11:43:13,724 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz' 2026-02-10T11:43:13,725 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz' 2026-02-10T11:43:13,727 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz' 2026-02-10T11:43:13,728 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz' 2026-02-10T11:43:13,729 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz' 2026-02-10T11:43:13,730 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz' 2026-02-10T11:43:13,731 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz' 2026-02-10T11:43:13,734 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz' 2026-02-10T11:43:13,735 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz' 2026-02-10T11:43:13,736 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz' 2026-02-10T11:43:13,737 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz' 2026-02-10T11:43:13,738 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz' 2026-02-10T11:43:13,739 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz' 2026-02-10T11:43:13,740 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz' 2026-02-10T11:43:13,742 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz' 2026-02-10T11:43:13,743 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz' 2026-02-10T11:43:13,744 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz' 2026-02-10T11:43:13,745 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz' 2026-02-10T11:43:13,747 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz' 2026-02-10T11:43:13,748 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz' 2026-02-10T11:43:13,749 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz' 2026-02-10T11:43:13,750 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz' 2026-02-10T11:43:13,751 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz' 2026-02-10T11:43:13,753 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz' 2026-02-10T11:43:13,754 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz' 2026-02-10T11:43:13,755 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz' 2026-02-10T11:43:13,756 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz' 2026-02-10T11:43:13,757 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz' 2026-02-10T11:43:13,759 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz' 2026-02-10T11:43:13,760 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz' 2026-02-10T11:43:13,761 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz' 2026-02-10T11:43:13,762 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz' 2026-02-10T11:43:13,763 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz' 2026-02-10T11:43:13,765 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz' 2026-02-10T11:43:13,766 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz' 2026-02-10T11:43:13,767 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz' 2026-02-10T11:43:13,768 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz' 2026-02-10T11:43:13,770 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz' 2026-02-10T11:43:13,771 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz' 2026-02-10T11:43:13,772 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz' 2026-02-10T11:43:13,773 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz' 2026-02-10T11:43:13,775 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz' 2026-02-10T11:43:13,776 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz' 2026-02-10T11:43:13,777 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz' 2026-02-10T11:43:13,778 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz' 2026-02-10T11:43:13,779 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz' 2026-02-10T11:43:13,782 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz' 2026-02-10T11:43:13,783 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz' 2026-02-10T11:43:13,784 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz' 2026-02-10T11:43:13,785 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz' 2026-02-10T11:43:13,786 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz' 2026-02-10T11:43:13,787 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz' 2026-02-10T11:43:13,789 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz' 2026-02-10T11:43:13,790 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz' 2026-02-10T11:43:13,791 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz' 2026-02-10T11:43:13,792 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz' 2026-02-10T11:43:13,793 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz' 2026-02-10T11:43:13,795 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz' 2026-02-10T11:43:13,796 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz' 2026-02-10T11:43:13,797 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz' 2026-02-10T11:43:13,798 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz' 2026-02-10T11:43:13,799 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz' 2026-02-10T11:43:13,801 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz' 2026-02-10T11:43:13,802 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz' 2026-02-10T11:43:13,803 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz' 2026-02-10T11:43:13,804 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz' 2026-02-10T11:43:13,805 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz' 2026-02-10T11:43:13,807 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz' 2026-02-10T11:43:13,808 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz' 2026-02-10T11:43:13,809 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz' 2026-02-10T11:43:13,810 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz' 2026-02-10T11:43:13,811 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz' 2026-02-10T11:43:13,813 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz' 2026-02-10T11:43:13,814 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz' 2026-02-10T11:43:13,815 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz' 2026-02-10T11:43:13,816 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz' 2026-02-10T11:43:13,818 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz' 2026-02-10T11:43:13,819 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz' 2026-02-10T11:43:13,820 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz' 2026-02-10T11:43:13,821 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz' 2026-02-10T11:43:13,823 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz' 2026-02-10T11:43:13,824 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz' 2026-02-10T11:43:13,825 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz' 2026-02-10T11:43:13,826 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz' 2026-02-10T11:43:13,827 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz' 2026-02-10T11:43:13,829 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz' 2026-02-10T11:43:13,830 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz' 2026-02-10T11:43:13,832 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz' 2026-02-10T11:43:13,833 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz' 2026-02-10T11:43:13,834 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz' 2026-02-10T11:43:13,835 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz' 2026-02-10T11:43:13,836 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz' 2026-02-10T11:43:13,837 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz' 2026-02-10T11:43:13,839 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz' 2026-02-10T11:43:13,840 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz' 2026-02-10T11:43:13,841 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz' 2026-02-10T11:43:13,842 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz' 2026-02-10T11:43:13,843 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz' 2026-02-10T11:43:13,845 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz' 2026-02-10T11:43:13,846 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz' 2026-02-10T11:43:13,847 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz' 2026-02-10T11:43:13,848 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz' 2026-02-10T11:43:13,849 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz' 2026-02-10T11:43:13,851 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz' 2026-02-10T11:43:13,852 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz' 2026-02-10T11:43:13,853 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz' 2026-02-10T11:43:13,854 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz' 2026-02-10T11:43:13,855 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz' 2026-02-10T11:43:13,856 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz' 2026-02-10T11:43:13,858 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz' 2026-02-10T11:43:13,859 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz' 2026-02-10T11:43:13,860 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz' 2026-02-10T11:43:13,861 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz' 2026-02-10T11:43:13,862 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz' 2026-02-10T11:43:13,864 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz' 2026-02-10T11:43:13,865 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz' 2026-02-10T11:43:13,866 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz' 2026-02-10T11:43:13,867 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz' 2026-02-10T11:43:13,869 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz' 2026-02-10T11:43:13,870 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz' 2026-02-10T11:43:13,871 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz' 2026-02-10T11:43:13,872 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz' 2026-02-10T11:43:13,873 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz' 2026-02-10T11:43:13,875 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz' 2026-02-10T11:43:13,876 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz' 2026-02-10T11:43:13,877 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz' 2026-02-10T11:43:13,878 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz' 2026-02-10T11:43:13,879 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz' 2026-02-10T11:43:13,880 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz' 2026-02-10T11:43:13,881 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz' 2026-02-10T11:43:13,883 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz' 2026-02-10T11:43:13,884 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz' 2026-02-10T11:43:13,886 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz' 2026-02-10T11:43:13,887 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz' 2026-02-10T11:43:13,888 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz' 2026-02-10T11:43:13,889 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz' 2026-02-10T11:43:13,890 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz' 2026-02-10T11:43:13,891 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz' 2026-02-10T11:43:13,892 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz' 2026-02-10T11:43:13,893 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz' 2026-02-10T11:43:13,895 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz' 2026-02-10T11:43:13,896 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz' 2026-02-10T11:43:13,897 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz' 2026-02-10T11:43:13,898 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz' 2026-02-10T11:43:13,899 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz' 2026-02-10T11:43:13,900 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz' 2026-02-10T11:43:13,902 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz' 2026-02-10T11:43:13,903 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz' 2026-02-10T11:43:13,904 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz' 2026-02-10T11:43:13,905 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz' 2026-02-10T11:43:13,906 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz' 2026-02-10T11:43:13,907 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz' 2026-02-10T11:43:13,908 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz' 2026-02-10T11:43:13,909 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz' 2026-02-10T11:43:13,910 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz' 2026-02-10T11:43:13,912 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz' 2026-02-10T11:43:13,913 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz' 2026-02-10T11:43:13,917 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz' 2026-02-10T11:43:13,918 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz' 2026-02-10T11:43:13,919 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz' 2026-02-10T11:43:13,920 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz' 2026-02-10T11:43:13,922 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz' 2026-02-10T11:43:13,923 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz' 2026-02-10T11:43:13,924 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz' 2026-02-10T11:43:13,925 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz' 2026-02-10T11:43:13,926 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz' 2026-02-10T11:43:13,927 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz' 2026-02-10T11:43:13,928 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz' 2026-02-10T11:43:13,929 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz' 2026-02-10T11:43:13,930 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz' 2026-02-10T11:43:13,931 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz' 2026-02-10T11:43:13,932 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz' 2026-02-10T11:43:13,933 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz' 2026-02-10T11:43:13,934 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz' 2026-02-10T11:43:13,935 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz' 2026-02-10T11:43:13,936 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz' 2026-02-10T11:43:13,937 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz' 2026-02-10T11:43:13,939 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz' 2026-02-10T11:43:13,940 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz' 2026-02-10T11:43:13,941 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz' 2026-02-10T11:43:13,942 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz' 2026-02-10T11:43:13,943 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz' 2026-02-10T11:43:13,944 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz' 2026-02-10T11:43:13,945 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz' 2026-02-10T11:43:13,946 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz' 2026-02-10T11:43:13,947 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz' 2026-02-10T11:43:13,948 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz' 2026-02-10T11:43:13,950 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz' 2026-02-10T11:43:13,951 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz' 2026-02-10T11:43:13,952 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz' 2026-02-10T11:43:13,953 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz' 2026-02-10T11:43:13,954 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz' 2026-02-10T11:43:13,955 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz' 2026-02-10T11:43:13,956 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz' 2026-02-10T11:43:13,958 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz' 2026-02-10T11:43:13,959 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz' 2026-02-10T11:43:13,960 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz' 2026-02-10T11:43:13,961 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz' 2026-02-10T11:43:13,962 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz' 2026-02-10T11:43:13,963 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz' 2026-02-10T11:43:13,965 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz' 2026-02-10T11:43:13,966 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz' 2026-02-10T11:43:13,967 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz' 2026-02-10T11:43:13,968 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz' 2026-02-10T11:43:13,969 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz' 2026-02-10T11:43:13,970 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz' 2026-02-10T11:43:13,972 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz' 2026-02-10T11:43:13,973 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz' 2026-02-10T11:43:13,974 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz' 2026-02-10T11:43:13,975 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz' 2026-02-10T11:43:13,976 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz' 2026-02-10T11:43:13,977 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz' 2026-02-10T11:43:13,978 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz' 2026-02-10T11:43:13,979 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz' 2026-02-10T11:43:13,980 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz' 2026-02-10T11:43:13,981 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz' 2026-02-10T11:43:13,982 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz' 2026-02-10T11:43:13,983 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz' 2026-02-10T11:43:13,985 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz' 2026-02-10T11:43:13,986 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz' 2026-02-10T11:43:13,987 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz' 2026-02-10T11:43:13,988 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz' 2026-02-10T11:43:13,989 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz' 2026-02-10T11:43:13,990 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz' 2026-02-10T11:43:13,991 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz' 2026-02-10T11:43:13,992 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz' 2026-02-10T11:43:13,994 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz' 2026-02-10T11:43:13,995 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz' 2026-02-10T11:43:13,996 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz' 2026-02-10T11:43:13,997 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz' 2026-02-10T11:43:13,998 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz' 2026-02-10T11:43:13,999 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz' 2026-02-10T11:43:14,000 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz' 2026-02-10T11:43:14,001 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz' 2026-02-10T11:43:14,003 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz' 2026-02-10T11:43:14,004 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz' 2026-02-10T11:43:14,005 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz' 2026-02-10T11:43:14,006 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz' 2026-02-10T11:43:14,007 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz' 2026-02-10T11:43:14,008 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz' 2026-02-10T11:43:14,009 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz' 2026-02-10T11:43:14,010 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz' 2026-02-10T11:43:14,012 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz' 2026-02-10T11:43:14,013 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz' 2026-02-10T11:43:14,014 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz' 2026-02-10T11:43:14,015 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz' 2026-02-10T11:43:14,016 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz' 2026-02-10T11:43:14,017 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz' 2026-02-10T11:43:14,019 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz' 2026-02-10T11:43:14,020 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz' 2026-02-10T11:43:14,021 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz' 2026-02-10T11:43:14,022 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz' 2026-02-10T11:43:14,023 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz' 2026-02-10T11:43:14,024 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz' 2026-02-10T11:43:14,025 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz' 2026-02-10T11:43:14,026 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz' 2026-02-10T11:43:14,027 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz' 2026-02-10T11:43:14,028 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz' 2026-02-10T11:43:14,029 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz' 2026-02-10T11:43:14,030 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz' 2026-02-10T11:43:14,032 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz' 2026-02-10T11:43:14,033 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz' 2026-02-10T11:43:14,034 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz' 2026-02-10T11:43:14,035 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz' 2026-02-10T11:43:14,036 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz' 2026-02-10T11:43:14,037 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz' 2026-02-10T11:43:14,038 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz' 2026-02-10T11:43:14,039 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz' 2026-02-10T11:43:14,040 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz' 2026-02-10T11:43:14,041 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz' 2026-02-10T11:43:14,043 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz' 2026-02-10T11:43:14,044 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz' 2026-02-10T11:43:14,045 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz' 2026-02-10T11:43:14,046 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz' 2026-02-10T11:43:14,047 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz' 2026-02-10T11:43:14,048 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz' 2026-02-10T11:43:14,049 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz' 2026-02-10T11:43:14,050 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz' 2026-02-10T11:43:14,051 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz' 2026-02-10T11:43:14,053 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz' 2026-02-10T11:43:14,054 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz' 2026-02-10T11:43:14,055 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz' 2026-02-10T11:43:14,056 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz' 2026-02-10T11:43:14,057 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz' 2026-02-10T11:43:14,058 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz' 2026-02-10T11:43:14,059 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz' 2026-02-10T11:43:14,061 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz' 2026-02-10T11:43:14,062 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz' 2026-02-10T11:43:14,063 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz' 2026-02-10T11:43:14,064 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz' 2026-02-10T11:43:14,065 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz' 2026-02-10T11:43:14,066 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz' 2026-02-10T11:43:14,067 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz' 2026-02-10T11:43:14,069 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz' 2026-02-10T11:43:14,070 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz' 2026-02-10T11:43:14,071 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz' 2026-02-10T11:43:14,072 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz' 2026-02-10T11:43:14,073 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz' 2026-02-10T11:43:14,075 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz' 2026-02-10T11:43:14,076 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz' 2026-02-10T11:43:14,077 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz' 2026-02-10T11:43:14,078 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz' 2026-02-10T11:43:14,079 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz' 2026-02-10T11:43:14,080 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz' 2026-02-10T11:43:14,081 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz' 2026-02-10T11:43:14,082 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz' 2026-02-10T11:43:14,083 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz' 2026-02-10T11:43:14,084 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz' 2026-02-10T11:43:14,085 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz' 2026-02-10T11:43:14,087 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz' 2026-02-10T11:43:14,089 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz' 2026-02-10T11:43:14,090 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz' 2026-02-10T11:43:14,091 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz' 2026-02-10T11:43:14,092 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz' 2026-02-10T11:43:14,093 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz' 2026-02-10T11:43:14,094 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz' 2026-02-10T11:43:14,096 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz' 2026-02-10T11:43:14,097 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz' 2026-02-10T11:43:14,098 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz' 2026-02-10T11:43:14,099 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz' 2026-02-10T11:43:14,100 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz' 2026-02-10T11:43:14,101 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz' 2026-02-10T11:43:14,103 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz' 2026-02-10T11:43:14,104 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz' 2026-02-10T11:43:14,105 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz' 2026-02-10T11:43:14,107 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz' 2026-02-10T11:43:14,108 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz' 2026-02-10T11:43:14,109 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz' 2026-02-10T11:43:14,110 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz' 2026-02-10T11:43:14,111 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz' 2026-02-10T11:43:14,113 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz' 2026-02-10T11:43:14,114 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz' 2026-02-10T11:43:14,115 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz' 2026-02-10T11:43:14,116 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz' 2026-02-10T11:43:14,117 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz' 2026-02-10T11:43:14,120 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:14,121 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:14,122 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:14,123 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:14,124 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:14,126 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:14,127 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:14,128 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:14,129 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:14,130 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:14,131 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:14,132 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:14,134 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:14,135 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:14,136 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:14,137 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:14,138 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:14,140 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:14,141 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:14,142 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:14,143 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:14,144 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:14,145 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:14,147 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:14,148 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:14,149 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:14,150 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:14,151 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz' 2026-02-10T11:43:14,153 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz' 2026-02-10T11:43:14,154 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz' 2026-02-10T11:43:14,155 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz' 2026-02-10T11:43:14,156 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz' 2026-02-10T11:43:14,157 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz' 2026-02-10T11:43:14,158 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz' 2026-02-10T11:43:14,160 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz' 2026-02-10T11:43:14,161 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz' 2026-02-10T11:43:14,162 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz' 2026-02-10T11:43:14,163 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz' 2026-02-10T11:43:14,165 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz' 2026-02-10T11:43:14,166 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz' 2026-02-10T11:43:14,167 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz' 2026-02-10T11:43:14,169 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz' 2026-02-10T11:43:14,170 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz' 2026-02-10T11:43:14,171 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz' 2026-02-10T11:43:14,173 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz' 2026-02-10T11:43:14,174 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz' 2026-02-10T11:43:14,175 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz' 2026-02-10T11:43:14,176 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz' 2026-02-10T11:43:14,177 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz' 2026-02-10T11:43:14,178 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz' 2026-02-10T11:43:14,179 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz' 2026-02-10T11:43:14,180 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz' 2026-02-10T11:43:14,181 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz' 2026-02-10T11:43:14,182 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz' 2026-02-10T11:43:14,183 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz' 2026-02-10T11:43:14,187 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz' 2026-02-10T11:43:14,188 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz' 2026-02-10T11:43:14,190 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz' 2026-02-10T11:43:14,191 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz' 2026-02-10T11:43:14,192 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz' 2026-02-10T11:43:14,193 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz' 2026-02-10T11:43:14,194 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz' 2026-02-10T11:43:14,195 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz' 2026-02-10T11:43:14,197 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz' 2026-02-10T11:43:14,198 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz' 2026-02-10T11:43:14,199 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz' 2026-02-10T11:43:14,200 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz' 2026-02-10T11:43:14,201 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz' 2026-02-10T11:43:14,202 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz' 2026-02-10T11:43:14,203 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz' 2026-02-10T11:43:14,205 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz' 2026-02-10T11:43:14,206 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz' 2026-02-10T11:43:14,207 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz' 2026-02-10T11:43:14,208 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz' 2026-02-10T11:43:14,210 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz' 2026-02-10T11:43:14,211 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz' 2026-02-10T11:43:14,212 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz' 2026-02-10T11:43:14,213 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz' 2026-02-10T11:43:14,215 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz' 2026-02-10T11:43:14,216 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz' 2026-02-10T11:43:14,217 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz' 2026-02-10T11:43:14,218 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz' 2026-02-10T11:43:14,220 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz' 2026-02-10T11:43:14,221 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz' 2026-02-10T11:43:14,222 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz' 2026-02-10T11:43:14,223 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz' 2026-02-10T11:43:14,224 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz' 2026-02-10T11:43:14,225 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz' 2026-02-10T11:43:14,227 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz' 2026-02-10T11:43:14,228 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz' 2026-02-10T11:43:14,229 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz' 2026-02-10T11:43:14,230 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz' 2026-02-10T11:43:14,231 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz' 2026-02-10T11:43:14,232 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz' 2026-02-10T11:43:14,233 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz' 2026-02-10T11:43:14,235 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz' 2026-02-10T11:43:14,236 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz' 2026-02-10T11:43:14,237 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz' 2026-02-10T11:43:14,238 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz' 2026-02-10T11:43:14,239 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz' 2026-02-10T11:43:14,241 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz' 2026-02-10T11:43:14,242 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz' 2026-02-10T11:43:14,243 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz' 2026-02-10T11:43:14,244 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz' 2026-02-10T11:43:14,245 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz' 2026-02-10T11:43:14,246 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz' 2026-02-10T11:43:14,248 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz' 2026-02-10T11:43:14,249 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz' 2026-02-10T11:43:14,250 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz' 2026-02-10T11:43:14,251 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz' 2026-02-10T11:43:14,253 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz' 2026-02-10T11:43:14,254 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz' 2026-02-10T11:43:14,255 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz' 2026-02-10T11:43:14,257 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz' 2026-02-10T11:43:14,258 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz' 2026-02-10T11:43:14,259 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz' 2026-02-10T11:43:14,260 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz' 2026-02-10T11:43:14,261 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz' 2026-02-10T11:43:14,262 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz' 2026-02-10T11:43:14,264 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz' 2026-02-10T11:43:14,265 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz' 2026-02-10T11:43:14,266 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz' 2026-02-10T11:43:14,267 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz' 2026-02-10T11:43:14,268 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz' 2026-02-10T11:43:14,269 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz' 2026-02-10T11:43:14,270 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz' 2026-02-10T11:43:14,272 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz' 2026-02-10T11:43:14,273 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz' 2026-02-10T11:43:14,274 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz' 2026-02-10T11:43:14,275 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz' 2026-02-10T11:43:14,276 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz' 2026-02-10T11:43:14,277 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz' 2026-02-10T11:43:14,278 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz' 2026-02-10T11:43:14,279 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz' 2026-02-10T11:43:14,281 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz' 2026-02-10T11:43:14,282 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz' 2026-02-10T11:43:14,283 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz' 2026-02-10T11:43:14,284 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz' 2026-02-10T11:43:14,285 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz' 2026-02-10T11:43:14,286 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz' 2026-02-10T11:43:14,287 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz' 2026-02-10T11:43:14,289 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz' 2026-02-10T11:43:14,290 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz' 2026-02-10T11:43:14,291 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz' 2026-02-10T11:43:14,292 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz' 2026-02-10T11:43:14,293 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz' 2026-02-10T11:43:14,295 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz' 2026-02-10T11:43:14,296 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz' 2026-02-10T11:43:14,298 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz' 2026-02-10T11:43:14,299 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz' 2026-02-10T11:43:14,300 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz' 2026-02-10T11:43:14,301 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz' 2026-02-10T11:43:14,302 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz' 2026-02-10T11:43:14,304 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz' 2026-02-10T11:43:14,305 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz' 2026-02-10T11:43:14,306 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz' 2026-02-10T11:43:14,307 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz' 2026-02-10T11:43:14,308 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz' 2026-02-10T11:43:14,310 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz' 2026-02-10T11:43:14,311 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz' 2026-02-10T11:43:14,312 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz' 2026-02-10T11:43:14,313 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz' 2026-02-10T11:43:14,315 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz' 2026-02-10T11:43:14,316 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz' 2026-02-10T11:43:14,317 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz' 2026-02-10T11:43:14,318 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz' 2026-02-10T11:43:14,319 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz' 2026-02-10T11:43:14,320 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz' 2026-02-10T11:43:14,322 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz' 2026-02-10T11:43:14,323 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz' 2026-02-10T11:43:14,324 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz' 2026-02-10T11:43:14,325 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz' 2026-02-10T11:43:14,327 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz' 2026-02-10T11:43:14,328 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz' 2026-02-10T11:43:14,329 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz' 2026-02-10T11:43:14,330 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz' 2026-02-10T11:43:14,331 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz' 2026-02-10T11:43:14,332 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz' 2026-02-10T11:43:14,334 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz' 2026-02-10T11:43:14,335 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz' 2026-02-10T11:43:14,336 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz' 2026-02-10T11:43:14,337 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz' 2026-02-10T11:43:14,338 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz' 2026-02-10T11:43:14,339 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz' 2026-02-10T11:43:14,340 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz' 2026-02-10T11:43:14,342 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz' 2026-02-10T11:43:14,343 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz' 2026-02-10T11:43:14,344 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz' 2026-02-10T11:43:14,345 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz' 2026-02-10T11:43:14,346 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz' 2026-02-10T11:43:14,347 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz' 2026-02-10T11:43:14,348 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz' 2026-02-10T11:43:14,350 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz' 2026-02-10T11:43:14,351 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz' 2026-02-10T11:43:14,352 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz' 2026-02-10T11:43:14,354 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz' 2026-02-10T11:43:14,355 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz' 2026-02-10T11:43:14,368 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz' 2026-02-10T11:43:14,369 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz' 2026-02-10T11:43:14,370 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz' 2026-02-10T11:43:14,372 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,373 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz' 2026-02-10T11:43:14,374 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz' 2026-02-10T11:43:14,376 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz' 2026-02-10T11:43:14,377 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz' 2026-02-10T11:43:14,378 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz' 2026-02-10T11:43:14,379 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz' 2026-02-10T11:43:14,380 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,382 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz' 2026-02-10T11:43:14,383 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz' 2026-02-10T11:43:14,384 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz' 2026-02-10T11:43:14,385 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz' 2026-02-10T11:43:14,387 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz' 2026-02-10T11:43:14,388 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz' 2026-02-10T11:43:14,392 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz' 2026-02-10T11:43:14,394 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz' 2026-02-10T11:43:14,395 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz' 2026-02-10T11:43:14,397 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,398 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz' 2026-02-10T11:43:14,399 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz' 2026-02-10T11:43:14,401 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz' 2026-02-10T11:43:14,402 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz' 2026-02-10T11:43:14,403 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz' 2026-02-10T11:43:14,405 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz' 2026-02-10T11:43:14,406 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz' 2026-02-10T11:43:14,407 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz' 2026-02-10T11:43:14,408 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz' 2026-02-10T11:43:14,409 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz' 2026-02-10T11:43:14,411 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,412 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz' 2026-02-10T11:43:14,414 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,415 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,417 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,418 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,420 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,421 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,422 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,424 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,426 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,428 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,430 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz' 2026-02-10T11:43:14,431 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz' 2026-02-10T11:43:14,433 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz' 2026-02-10T11:43:14,434 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz' 2026-02-10T11:43:14,436 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz' 2026-02-10T11:43:14,437 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz' 2026-02-10T11:43:14,438 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,439 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz' 2026-02-10T11:43:14,440 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz' 2026-02-10T11:43:14,441 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz' 2026-02-10T11:43:14,443 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,444 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz' 2026-02-10T11:43:14,445 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz' 2026-02-10T11:43:14,446 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz' 2026-02-10T11:43:14,448 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz' 2026-02-10T11:43:14,449 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz' 2026-02-10T11:43:14,450 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz' 2026-02-10T11:43:14,451 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz' 2026-02-10T11:43:14,452 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz' 2026-02-10T11:43:14,454 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz' 2026-02-10T11:43:14,455 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,456 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,457 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz' 2026-02-10T11:43:14,459 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz' 2026-02-10T11:43:14,460 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz' 2026-02-10T11:43:14,461 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,463 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz' 2026-02-10T11:43:14,464 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz' 2026-02-10T11:43:14,466 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz' 2026-02-10T11:43:14,467 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz' 2026-02-10T11:43:14,469 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz' 2026-02-10T11:43:14,470 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz' 2026-02-10T11:43:14,471 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,473 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,474 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz' 2026-02-10T11:43:14,476 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz' 2026-02-10T11:43:14,477 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz' 2026-02-10T11:43:14,478 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz' 2026-02-10T11:43:14,480 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz' 2026-02-10T11:43:14,481 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz' 2026-02-10T11:43:14,482 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz' 2026-02-10T11:43:14,484 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz' 2026-02-10T11:43:14,485 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz' 2026-02-10T11:43:14,486 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,487 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz' 2026-02-10T11:43:14,488 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz' 2026-02-10T11:43:14,490 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz' 2026-02-10T11:43:14,491 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz' 2026-02-10T11:43:14,492 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz' 2026-02-10T11:43:14,493 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz' 2026-02-10T11:43:14,495 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz' 2026-02-10T11:43:14,496 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz' 2026-02-10T11:43:14,498 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz' 2026-02-10T11:43:14,499 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz' 2026-02-10T11:43:14,500 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,501 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz' 2026-02-10T11:43:14,502 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,504 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,505 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,506 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,507 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,509 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,510 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,511 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,513 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,514 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,516 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz' 2026-02-10T11:43:14,517 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz' 2026-02-10T11:43:14,518 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz' 2026-02-10T11:43:14,520 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz' 2026-02-10T11:43:14,521 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz' 2026-02-10T11:43:14,523 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz' 2026-02-10T11:43:14,524 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,526 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz' 2026-02-10T11:43:14,527 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz' 2026-02-10T11:43:14,528 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz' 2026-02-10T11:43:14,529 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz' 2026-02-10T11:43:14,531 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz' 2026-02-10T11:43:14,532 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz' 2026-02-10T11:43:14,533 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,535 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,536 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,537 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,538 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,539 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,541 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,542 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,543 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz' 2026-02-10T11:43:14,544 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,546 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,547 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,548 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,549 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,551 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,552 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,553 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,554 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,556 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,557 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,558 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz' 2026-02-10T11:43:14,559 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz' 2026-02-10T11:43:14,561 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz' 2026-02-10T11:43:14,562 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz' 2026-02-10T11:43:14,563 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz' 2026-02-10T11:43:14,565 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz' 2026-02-10T11:43:14,566 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,567 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz' 2026-02-10T11:43:14,568 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz' 2026-02-10T11:43:14,570 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz' 2026-02-10T11:43:14,571 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,572 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz' 2026-02-10T11:43:14,574 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz' 2026-02-10T11:43:14,575 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz' 2026-02-10T11:43:14,577 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz' 2026-02-10T11:43:14,578 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz' 2026-02-10T11:43:14,579 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,581 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,582 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,583 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,584 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,586 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,587 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,588 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,589 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,590 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,591 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz' 2026-02-10T11:43:14,593 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz' 2026-02-10T11:43:14,594 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz' 2026-02-10T11:43:14,595 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz' 2026-02-10T11:43:14,596 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz' 2026-02-10T11:43:14,598 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz' 2026-02-10T11:43:14,599 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,600 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,601 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz' 2026-02-10T11:43:14,603 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz' 2026-02-10T11:43:14,604 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz' 2026-02-10T11:43:14,605 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz' 2026-02-10T11:43:14,606 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz' 2026-02-10T11:43:14,608 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz' 2026-02-10T11:43:14,609 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz' 2026-02-10T11:43:14,610 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz' 2026-02-10T11:43:14,611 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz' 2026-02-10T11:43:14,613 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,614 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,615 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,616 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,618 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,619 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,620 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,622 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,623 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,624 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,626 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz' 2026-02-10T11:43:14,627 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,628 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz' 2026-02-10T11:43:14,630 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz' 2026-02-10T11:43:14,631 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz' 2026-02-10T11:43:14,632 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz' 2026-02-10T11:43:14,634 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz' 2026-02-10T11:43:14,635 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,636 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz' 2026-02-10T11:43:14,637 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz' 2026-02-10T11:43:14,638 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz' 2026-02-10T11:43:14,640 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz' 2026-02-10T11:43:14,641 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,642 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz' 2026-02-10T11:43:14,644 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz' 2026-02-10T11:43:14,645 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz' 2026-02-10T11:43:14,647 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz' 2026-02-10T11:43:14,648 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz' 2026-02-10T11:43:14,650 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz' 2026-02-10T11:43:14,652 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz' 2026-02-10T11:43:14,653 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz' 2026-02-10T11:43:14,655 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,656 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,657 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,658 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,660 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,661 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,662 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,663 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,665 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,666 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,667 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz' 2026-02-10T11:43:14,669 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz' 2026-02-10T11:43:14,670 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz' 2026-02-10T11:43:14,671 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,672 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz' 2026-02-10T11:43:14,674 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz' 2026-02-10T11:43:14,675 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz' 2026-02-10T11:43:14,676 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,678 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz' 2026-02-10T11:43:14,679 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz' 2026-02-10T11:43:14,680 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz' 2026-02-10T11:43:14,682 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz' 2026-02-10T11:43:14,683 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz' 2026-02-10T11:43:14,684 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz' 2026-02-10T11:43:14,686 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz' 2026-02-10T11:43:14,687 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz' 2026-02-10T11:43:14,688 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz' 2026-02-10T11:43:14,689 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz' 2026-02-10T11:43:14,690 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz' 2026-02-10T11:43:14,692 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz' 2026-02-10T11:43:14,693 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz' 2026-02-10T11:43:14,694 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz' 2026-02-10T11:43:14,695 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz' 2026-02-10T11:43:14,697 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz' 2026-02-10T11:43:14,698 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz' 2026-02-10T11:43:14,699 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz' 2026-02-10T11:43:14,700 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz' 2026-02-10T11:43:14,702 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz' 2026-02-10T11:43:14,703 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz' 2026-02-10T11:43:14,704 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz' 2026-02-10T11:43:14,705 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz' 2026-02-10T11:43:14,707 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz' 2026-02-10T11:43:14,708 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz' 2026-02-10T11:43:14,709 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,711 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,712 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,713 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz' 2026-02-10T11:43:14,714 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,716 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,717 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,718 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,719 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,721 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,722 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz' 2026-02-10T11:43:14,723 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz' 2026-02-10T11:43:14,725 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz' 2026-02-10T11:43:14,726 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz' 2026-02-10T11:43:14,728 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz' 2026-02-10T11:43:14,730 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz' 2026-02-10T11:43:14,731 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz' 2026-02-10T11:43:14,733 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,734 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz' 2026-02-10T11:43:14,736 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz' 2026-02-10T11:43:14,737 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz' 2026-02-10T11:43:14,738 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz' 2026-02-10T11:43:14,739 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz' 2026-02-10T11:43:14,740 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz' 2026-02-10T11:43:14,741 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz' 2026-02-10T11:43:14,743 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz' 2026-02-10T11:43:14,744 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz' 2026-02-10T11:43:14,745 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz' 2026-02-10T11:43:14,747 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz' 2026-02-10T11:43:14,748 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz' 2026-02-10T11:43:14,749 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz' 2026-02-10T11:43:14,751 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz' 2026-02-10T11:43:14,752 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz' 2026-02-10T11:43:14,754 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz' 2026-02-10T11:43:14,755 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz' 2026-02-10T11:43:14,756 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz' 2026-02-10T11:43:14,758 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz' 2026-02-10T11:43:14,759 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz' 2026-02-10T11:43:14,760 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz' 2026-02-10T11:43:14,762 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz' 2026-02-10T11:43:14,763 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz' 2026-02-10T11:43:14,764 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz' 2026-02-10T11:43:14,765 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz' 2026-02-10T11:43:14,766 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz' 2026-02-10T11:43:14,768 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz' 2026-02-10T11:43:14,769 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz' 2026-02-10T11:43:14,770 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz' 2026-02-10T11:43:14,772 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,773 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz' 2026-02-10T11:43:14,774 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz' 2026-02-10T11:43:14,776 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz' 2026-02-10T11:43:14,777 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz' 2026-02-10T11:43:14,778 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz' 2026-02-10T11:43:14,780 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz' 2026-02-10T11:43:14,781 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz' 2026-02-10T11:43:14,782 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz' 2026-02-10T11:43:14,784 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz' 2026-02-10T11:43:14,785 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz' 2026-02-10T11:43:14,786 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz' 2026-02-10T11:43:14,787 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz' 2026-02-10T11:43:14,788 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz' 2026-02-10T11:43:14,790 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz' 2026-02-10T11:43:14,791 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz' 2026-02-10T11:43:14,792 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,793 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,794 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,796 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,797 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,798 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,799 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz' 2026-02-10T11:43:14,801 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,802 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,803 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,804 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz' 2026-02-10T11:43:14,806 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz' 2026-02-10T11:43:14,807 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz' 2026-02-10T11:43:14,808 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz' 2026-02-10T11:43:14,809 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz' 2026-02-10T11:43:14,811 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz' 2026-02-10T11:43:14,812 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,813 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz' 2026-02-10T11:43:14,815 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz' 2026-02-10T11:43:14,816 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz' 2026-02-10T11:43:14,817 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz' 2026-02-10T11:43:14,818 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz' 2026-02-10T11:43:14,820 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz' 2026-02-10T11:43:14,821 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz' 2026-02-10T11:43:14,822 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz' 2026-02-10T11:43:14,824 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz' 2026-02-10T11:43:14,825 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz' 2026-02-10T11:43:14,826 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz' 2026-02-10T11:43:14,828 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz' 2026-02-10T11:43:14,829 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz' 2026-02-10T11:43:14,831 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz' 2026-02-10T11:43:14,832 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz' 2026-02-10T11:43:14,834 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz' 2026-02-10T11:43:14,837 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz' 2026-02-10T11:43:14,839 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz' 2026-02-10T11:43:14,840 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz' 2026-02-10T11:43:14,842 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz' 2026-02-10T11:43:14,843 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,845 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,846 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz' 2026-02-10T11:43:14,848 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,850 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,851 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,853 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,855 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,856 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,858 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,860 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,861 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz' 2026-02-10T11:43:14,863 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz' 2026-02-10T11:43:14,865 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz' 2026-02-10T11:43:14,866 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz' 2026-02-10T11:43:14,868 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz' 2026-02-10T11:43:14,870 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz' 2026-02-10T11:43:14,871 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz' 2026-02-10T11:43:14,873 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,875 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz' 2026-02-10T11:43:14,876 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz' 2026-02-10T11:43:14,878 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz' 2026-02-10T11:43:14,880 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz' 2026-02-10T11:43:14,881 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz' 2026-02-10T11:43:14,883 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz' 2026-02-10T11:43:14,884 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz' 2026-02-10T11:43:14,886 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz' 2026-02-10T11:43:14,888 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz' 2026-02-10T11:43:14,889 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz' 2026-02-10T11:43:14,891 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz' 2026-02-10T11:43:14,893 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz' 2026-02-10T11:43:14,894 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz' 2026-02-10T11:43:14,896 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz' 2026-02-10T11:43:14,898 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz' 2026-02-10T11:43:14,899 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz' 2026-02-10T11:43:14,901 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz' 2026-02-10T11:43:14,903 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz' 2026-02-10T11:43:14,904 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz' 2026-02-10T11:43:14,906 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz' 2026-02-10T11:43:14,907 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz' 2026-02-10T11:43:14,909 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz' 2026-02-10T11:43:14,910 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz' 2026-02-10T11:43:14,912 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz' 2026-02-10T11:43:14,913 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz' 2026-02-10T11:43:14,914 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz' 2026-02-10T11:43:14,916 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz' 2026-02-10T11:43:14,917 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz' 2026-02-10T11:43:14,919 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz' 2026-02-10T11:43:14,920 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz' 2026-02-10T11:43:14,922 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz' 2026-02-10T11:43:14,924 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz' 2026-02-10T11:43:15,145 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz' 2026-02-10T11:43:15,147 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz' 2026-02-10T11:43:15,149 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz' 2026-02-10T11:43:15,150 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz' 2026-02-10T11:43:15,152 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz' 2026-02-10T11:43:15,154 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz' 2026-02-10T11:43:15,156 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz' 2026-02-10T11:43:15,158 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz' 2026-02-10T11:43:15,160 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz' 2026-02-10T11:43:15,162 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz' 2026-02-10T11:43:15,164 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz' 2026-02-10T11:43:15,165 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz' 2026-02-10T11:43:15,167 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz' 2026-02-10T11:43:15,169 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz' 2026-02-10T11:43:15,171 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz' 2026-02-10T11:43:15,172 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz' 2026-02-10T11:43:15,174 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz' 2026-02-10T11:43:15,175 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz' 2026-02-10T11:43:15,177 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz' 2026-02-10T11:43:15,178 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz' 2026-02-10T11:43:15,180 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz' 2026-02-10T11:43:15,181 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz' 2026-02-10T11:43:15,183 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz' 2026-02-10T11:43:15,184 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz' 2026-02-10T11:43:15,186 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz' 2026-02-10T11:43:15,188 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz' 2026-02-10T11:43:15,189 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz' 2026-02-10T11:43:15,191 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz' 2026-02-10T11:43:15,192 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz' 2026-02-10T11:43:15,194 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz' 2026-02-10T11:43:15,195 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz' 2026-02-10T11:43:15,197 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz' 2026-02-10T11:43:15,198 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz' 2026-02-10T11:43:15,200 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz' 2026-02-10T11:43:15,201 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz' 2026-02-10T11:43:15,203 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz' 2026-02-10T11:43:15,205 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz' 2026-02-10T11:43:15,206 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz' 2026-02-10T11:43:15,208 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz' 2026-02-10T11:43:15,209 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz' 2026-02-10T11:43:15,211 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz' 2026-02-10T11:43:15,212 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz' 2026-02-10T11:43:15,214 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz' 2026-02-10T11:43:15,216 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz' 2026-02-10T11:43:15,218 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz' 2026-02-10T11:43:15,219 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz' 2026-02-10T11:43:15,221 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz' 2026-02-10T11:43:15,222 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz' 2026-02-10T11:43:15,224 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz' 2026-02-10T11:43:15,225 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz' 2026-02-10T11:43:15,227 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz' 2026-02-10T11:43:15,276 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz' 2026-02-10T11:43:15,277 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz' 2026-02-10T11:43:15,279 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz' 2026-02-10T11:43:15,280 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz' 2026-02-10T11:43:15,281 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz' 2026-02-10T11:43:15,283 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz' 2026-02-10T11:43:15,284 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz' 2026-02-10T11:43:15,286 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz' 2026-02-10T11:43:15,287 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz' 2026-02-10T11:43:15,289 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz' 2026-02-10T11:43:15,290 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz' 2026-02-10T11:43:15,292 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz' 2026-02-10T11:43:15,293 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz' 2026-02-10T11:43:15,295 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz' 2026-02-10T11:43:15,297 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz' 2026-02-10T11:43:15,298 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz' 2026-02-10T11:43:15,300 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz' 2026-02-10T11:43:15,302 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz' 2026-02-10T11:43:15,303 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz' 2026-02-10T11:43:15,305 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz' 2026-02-10T11:43:15,307 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz' 2026-02-10T11:43:15,308 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz' 2026-02-10T11:43:15,310 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz' 2026-02-10T11:43:15,312 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz' 2026-02-10T11:43:15,313 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz' 2026-02-10T11:43:15,315 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz' 2026-02-10T11:43:15,317 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz' 2026-02-10T11:43:15,318 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz' 2026-02-10T11:43:15,320 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz' 2026-02-10T11:43:15,322 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz' 2026-02-10T11:43:15,323 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz' 2026-02-10T11:43:15,325 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz' 2026-02-10T11:43:15,327 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz' 2026-02-10T11:43:15,329 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz' 2026-02-10T11:43:15,330 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz' 2026-02-10T11:43:15,332 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz' 2026-02-10T11:43:15,334 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz' 2026-02-10T11:43:15,336 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz' 2026-02-10T11:43:15,338 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz' 2026-02-10T11:43:15,339 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz' 2026-02-10T11:43:15,341 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz' 2026-02-10T11:43:15,343 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz' 2026-02-10T11:43:15,345 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz' 2026-02-10T11:43:15,346 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz' 2026-02-10T11:43:15,348 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz' 2026-02-10T11:43:15,349 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz' 2026-02-10T11:43:15,351 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz' 2026-02-10T11:43:15,353 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz' 2026-02-10T11:43:15,355 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz' 2026-02-10T11:43:15,356 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz' 2026-02-10T11:43:15,358 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz' 2026-02-10T11:43:15,360 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz' 2026-02-10T11:43:15,361 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz' 2026-02-10T11:43:15,363 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz' 2026-02-10T11:43:15,364 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz' 2026-02-10T11:43:15,366 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz' 2026-02-10T11:43:15,368 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz' 2026-02-10T11:43:15,369 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz' 2026-02-10T11:43:15,371 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz' 2026-02-10T11:43:15,373 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz' 2026-02-10T11:43:15,375 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz' 2026-02-10T11:43:15,376 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz' 2026-02-10T11:43:15,378 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz' 2026-02-10T11:43:15,379 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz' 2026-02-10T11:43:15,381 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz' 2026-02-10T11:43:15,382 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz' 2026-02-10T11:43:15,393 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz' 2026-02-10T11:43:15,395 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz' 2026-02-10T11:43:15,396 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz' 2026-02-10T11:43:15,398 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz' 2026-02-10T11:43:15,399 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz' 2026-02-10T11:43:15,401 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz' 2026-02-10T11:43:15,402 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz' 2026-02-10T11:43:15,404 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz' 2026-02-10T11:43:15,406 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz' 2026-02-10T11:43:15,407 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz' 2026-02-10T11:43:15,409 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz' 2026-02-10T11:43:15,410 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz' 2026-02-10T11:43:15,412 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz' 2026-02-10T11:43:15,413 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz' 2026-02-10T11:43:15,415 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz' 2026-02-10T11:43:15,417 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz' 2026-02-10T11:43:15,418 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz' 2026-02-10T11:43:15,420 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz' 2026-02-10T11:43:15,421 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz' 2026-02-10T11:43:15,423 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz' 2026-02-10T11:43:15,424 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz' 2026-02-10T11:43:15,426 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz' 2026-02-10T11:43:15,428 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz' 2026-02-10T11:43:15,429 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz' 2026-02-10T11:43:15,432 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:15,433 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:15,435 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:15,437 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz' 2026-02-10T11:43:15,438 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz' 2026-02-10T11:43:15,440 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz' 2026-02-10T11:43:15,442 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz' 2026-02-10T11:43:15,443 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:15,445 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:15,446 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:15,448 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz' 2026-02-10T11:43:15,449 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz' 2026-02-10T11:43:15,451 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz' 2026-02-10T11:43:15,452 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz' 2026-02-10T11:43:15,454 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:15,455 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:15,457 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:15,459 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz' 2026-02-10T11:43:15,460 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz' 2026-02-10T11:43:15,462 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz' 2026-02-10T11:43:15,463 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz' 2026-02-10T11:43:15,465 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:15,467 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:15,470 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:15,472 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz' 2026-02-10T11:43:15,473 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz' 2026-02-10T11:43:15,475 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz' 2026-02-10T11:43:15,477 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz' 2026-02-10T11:43:15,478 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:15,480 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:15,481 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:15,483 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz' 2026-02-10T11:43:15,485 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz' 2026-02-10T11:43:15,486 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz' 2026-02-10T11:43:15,488 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz' 2026-02-10T11:43:15,489 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:15,491 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:15,493 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:15,494 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz' 2026-02-10T11:43:15,496 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz' 2026-02-10T11:43:15,498 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz' 2026-02-10T11:43:15,500 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz' 2026-02-10T11:43:15,501 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:15,502 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:15,504 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:15,506 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz' 2026-02-10T11:43:15,507 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz' 2026-02-10T11:43:15,509 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz' 2026-02-10T11:43:15,510 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz' 2026-02-10T11:43:15,512 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:15,514 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:15,519 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:15,520 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz' 2026-02-10T11:43:15,522 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz' 2026-02-10T11:43:15,523 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz' 2026-02-10T11:43:15,525 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz' 2026-02-10T11:43:15,527 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:15,528 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:15,530 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:15,531 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz' 2026-02-10T11:43:15,533 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz' 2026-02-10T11:43:15,535 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz' 2026-02-10T11:43:15,536 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz' 2026-02-10T11:43:15,538 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:15,539 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:15,541 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:15,542 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz' 2026-02-10T11:43:15,544 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz' 2026-02-10T11:43:15,546 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz' 2026-02-10T11:43:15,547 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz' 2026-02-10T11:43:15,549 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:15,550 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:15,552 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:15,554 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz' 2026-02-10T11:43:15,556 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz' 2026-02-10T11:43:15,557 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz' 2026-02-10T11:43:15,559 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz' 2026-02-10T11:43:15,560 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:15,562 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:15,564 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:15,565 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz' 2026-02-10T11:43:15,567 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:15,568 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:15,570 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:15,571 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:15,573 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:15,575 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:15,576 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz' 2026-02-10T11:43:15,578 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:15,579 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:15,581 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:15,582 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:15,584 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:15,585 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:15,587 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz' 2026-02-10T11:43:15,589 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:15,590 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:15,592 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:15,593 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:15,595 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:15,597 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:15,598 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz' 2026-02-10T11:43:15,600 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:15,602 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:15,603 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:15,605 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:15,607 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:15,608 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:15,610 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz' 2026-02-10T11:43:15,611 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:15,613 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:15,615 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:15,616 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:15,618 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:15,619 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:15,621 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz' 2026-02-10T11:43:15,623 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:15,624 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:15,626 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:15,628 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:15,630 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:15,631 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:15,633 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz' 2026-02-10T11:43:15,635 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz' 2026-02-10T11:43:15,637 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz' 2026-02-10T11:43:15,638 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz' 2026-02-10T11:43:15,640 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:15,641 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:15,643 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:15,645 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz' 2026-02-10T11:43:15,646 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz' 2026-02-10T11:43:15,648 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz' 2026-02-10T11:43:15,649 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz' 2026-02-10T11:43:15,651 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:15,652 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:15,654 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:15,656 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz' 2026-02-10T11:43:15,658 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz' 2026-02-10T11:43:15,659 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz' 2026-02-10T11:43:15,661 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz' 2026-02-10T11:43:15,662 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:15,664 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:15,666 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:15,667 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz' 2026-02-10T11:43:15,668 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:15,669 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:15,671 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:15,672 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:15,673 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:15,675 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:15,677 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz' 2026-02-10T11:43:15,678 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:15,679 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:15,680 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:15,682 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:15,683 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:15,684 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:15,686 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz' 2026-02-10T11:43:15,687 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:15,688 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:15,689 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:15,690 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:15,691 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:15,692 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:15,693 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz' 2026-02-10T11:43:15,694 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz' 2026-02-10T11:43:15,696 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz' 2026-02-10T11:43:15,697 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz' 2026-02-10T11:43:15,698 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:15,699 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:15,700 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:15,702 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz' 2026-02-10T11:43:15,703 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz' 2026-02-10T11:43:15,704 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz' 2026-02-10T11:43:15,705 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz' 2026-02-10T11:43:15,707 adding 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adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz' 2026-02-10T11:43:15,721 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz' 2026-02-10T11:43:15,723 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz' 2026-02-10T11:43:15,724 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz' 2026-02-10T11:43:15,725 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:15,726 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:15,727 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:15,729 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz' 2026-02-10T11:43:15,730 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz' 2026-02-10T11:43:15,731 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz' 2026-02-10T11:43:15,732 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz' 2026-02-10T11:43:15,734 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:15,735 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:15,736 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:15,737 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz' 2026-02-10T11:43:15,738 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz' 2026-02-10T11:43:15,739 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz' 2026-02-10T11:43:15,740 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz' 2026-02-10T11:43:15,741 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:15,742 adding 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'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz' 2026-02-10T11:43:15,755 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz' 2026-02-10T11:43:15,757 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz' 2026-02-10T11:43:15,758 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:15,759 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:15,760 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:15,761 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz' 2026-02-10T11:43:15,763 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz' 2026-02-10T11:43:15,764 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz' 2026-02-10T11:43:15,765 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz' 2026-02-10T11:43:15,766 adding 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2026-02-10T11:43:15,802 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:15,803 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz' 2026-02-10T11:43:15,804 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:15,806 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:15,807 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:15,808 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:15,809 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:15,810 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:15,812 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz' 2026-02-10T11:43:15,813 adding 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'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:15,836 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:15,837 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz' 2026-02-10T11:43:15,838 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz' 2026-02-10T11:43:15,840 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz' 2026-02-10T11:43:15,841 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz' 2026-02-10T11:43:15,842 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:15,843 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:15,844 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:15,845 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz' 2026-02-10T11:43:15,847 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz' 2026-02-10T11:43:15,848 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz' 2026-02-10T11:43:15,849 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz' 2026-02-10T11:43:15,850 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:15,851 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:15,853 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:15,854 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz' 2026-02-10T11:43:15,855 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz' 2026-02-10T11:43:15,856 adding 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'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:15,869 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:15,870 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:15,871 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz' 2026-02-10T11:43:15,872 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz' 2026-02-10T11:43:15,874 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz' 2026-02-10T11:43:15,875 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz' 2026-02-10T11:43:15,876 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:15,877 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:15,878 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:15,879 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz' 2026-02-10T11:43:15,881 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz' 2026-02-10T11:43:15,882 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz' 2026-02-10T11:43:15,883 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz' 2026-02-10T11:43:15,884 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:15,885 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:15,887 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:15,888 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz' 2026-02-10T11:43:15,889 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz' 2026-02-10T11:43:15,890 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz' 2026-02-10T11:43:15,891 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz' 2026-02-10T11:43:15,893 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:15,894 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:15,895 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:15,896 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz' 2026-02-10T11:43:15,897 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz' 2026-02-10T11:43:15,899 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz' 2026-02-10T11:43:15,900 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz' 2026-02-10T11:43:15,901 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:15,902 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:15,903 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:15,905 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz' 2026-02-10T11:43:15,906 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz' 2026-02-10T11:43:15,907 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz' 2026-02-10T11:43:15,908 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz' 2026-02-10T11:43:15,909 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:15,911 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:15,912 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:15,913 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz' 2026-02-10T11:43:15,914 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz' 2026-02-10T11:43:15,916 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz' 2026-02-10T11:43:15,917 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz' 2026-02-10T11:43:15,918 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:15,919 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:15,920 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:15,922 adding 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2026-02-10T11:43:15,958 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:15,959 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:15,960 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:15,961 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:15,962 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:15,964 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz' 2026-02-10T11:43:15,965 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:15,966 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:15,967 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:15,968 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:15,970 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:15,971 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:15,972 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz' 2026-02-10T11:43:15,973 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz' 2026-02-10T11:43:15,974 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz' 2026-02-10T11:43:15,975 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz' 2026-02-10T11:43:15,977 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:15,978 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:15,979 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:15,980 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz' 2026-02-10T11:43:15,981 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz' 2026-02-10T11:43:15,983 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz' 2026-02-10T11:43:15,984 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz' 2026-02-10T11:43:15,985 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:15,986 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:15,987 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:15,989 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz' 2026-02-10T11:43:15,990 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz' 2026-02-10T11:43:15,991 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz' 2026-02-10T11:43:15,993 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz' 2026-02-10T11:43:15,994 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:15,995 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:15,996 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:15,998 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz' 2026-02-10T11:43:16,000 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz' 2026-02-10T11:43:16,001 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz' 2026-02-10T11:43:16,002 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz' 2026-02-10T11:43:16,004 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz' 2026-02-10T11:43:16,005 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz' 2026-02-10T11:43:16,006 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz' 2026-02-10T11:43:16,007 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz' 2026-02-10T11:43:16,008 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz' 2026-02-10T11:43:16,010 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz' 2026-02-10T11:43:16,012 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz' 2026-02-10T11:43:16,013 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz' 2026-02-10T11:43:16,015 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz' 2026-02-10T11:43:16,016 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz' 2026-02-10T11:43:16,018 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz' 2026-02-10T11:43:16,019 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz' 2026-02-10T11:43:16,020 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz' 2026-02-10T11:43:16,022 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz' 2026-02-10T11:43:16,023 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz' 2026-02-10T11:43:16,024 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz' 2026-02-10T11:43:16,025 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz' 2026-02-10T11:43:16,026 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz' 2026-02-10T11:43:16,027 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz' 2026-02-10T11:43:16,029 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz' 2026-02-10T11:43:16,031 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz' 2026-02-10T11:43:16,032 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:16,035 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:16,036 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:16,038 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz' 2026-02-10T11:43:16,039 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz' 2026-02-10T11:43:16,041 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz' 2026-02-10T11:43:16,255 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz' 2026-02-10T11:43:16,259 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:16,261 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:16,262 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:16,263 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz' 2026-02-10T11:43:16,265 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz' 2026-02-10T11:43:16,268 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz' 2026-02-10T11:43:16,270 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz' 2026-02-10T11:43:16,272 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:16,275 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:16,277 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:16,279 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz' 2026-02-10T11:43:16,284 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat' 2026-02-10T11:43:16,290 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat' 2026-02-10T11:43:16,294 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat' 2026-02-10T11:43:16,300 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat' 2026-02-10T11:43:16,303 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat' 2026-02-10T11:43:16,305 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat' 2026-02-10T11:43:16,308 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat' 2026-02-10T11:43:16,310 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat' 2026-02-10T11:43:16,312 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat' 2026-02-10T11:43:16,315 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat' 2026-02-10T11:43:16,317 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat' 2026-02-10T11:43:16,320 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat' 2026-02-10T11:43:16,323 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat' 2026-02-10T11:43:16,325 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat' 2026-02-10T11:43:16,327 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat' 2026-02-10T11:43:16,330 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat' 2026-02-10T11:43:16,332 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat' 2026-02-10T11:43:16,337 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat' 2026-02-10T11:43:16,340 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat' 2026-02-10T11:43:16,342 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat' 2026-02-10T11:43:16,344 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat' 2026-02-10T11:43:16,346 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat' 2026-02-10T11:43:16,349 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat' 2026-02-10T11:43:16,351 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat' 2026-02-10T11:43:16,353 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat' 2026-02-10T11:43:16,356 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat' 2026-02-10T11:43:16,358 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat' 2026-02-10T11:43:16,361 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat' 2026-02-10T11:43:16,362 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat' 2026-02-10T11:43:16,363 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat' 2026-02-10T11:43:16,365 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat' 2026-02-10T11:43:16,366 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat' 2026-02-10T11:43:16,367 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat' 2026-02-10T11:43:16,368 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat' 2026-02-10T11:43:16,370 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat' 2026-02-10T11:43:16,371 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat' 2026-02-10T11:43:16,373 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat' 2026-02-10T11:43:16,374 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat' 2026-02-10T11:43:16,380 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat' 2026-02-10T11:43:16,382 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat' 2026-02-10T11:43:16,383 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat' 2026-02-10T11:43:16,385 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat' 2026-02-10T11:43:16,386 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat' 2026-02-10T11:43:16,387 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat' 2026-02-10T11:43:16,389 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat' 2026-02-10T11:43:16,390 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat' 2026-02-10T11:43:16,391 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat' 2026-02-10T11:43:16,392 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat' 2026-02-10T11:43:16,393 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat' 2026-02-10T11:43:16,395 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat' 2026-02-10T11:43:16,397 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat' 2026-02-10T11:43:16,399 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat' 2026-02-10T11:43:16,401 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat' 2026-02-10T11:43:16,402 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat' 2026-02-10T11:43:16,403 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat' 2026-02-10T11:43:16,405 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat' 2026-02-10T11:43:16,406 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat' 2026-02-10T11:43:16,407 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat' 2026-02-10T11:43:16,408 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat' 2026-02-10T11:43:16,410 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat' 2026-02-10T11:43:16,415 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat' 2026-02-10T11:43:16,416 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat' 2026-02-10T11:43:16,422 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat' 2026-02-10T11:43:16,424 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat' 2026-02-10T11:43:16,425 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat' 2026-02-10T11:43:16,427 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat' 2026-02-10T11:43:16,428 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat' 2026-02-10T11:43:16,429 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat' 2026-02-10T11:43:16,430 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat' 2026-02-10T11:43:16,432 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat' 2026-02-10T11:43:16,434 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat' 2026-02-10T11:43:16,435 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat' 2026-02-10T11:43:16,436 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat' 2026-02-10T11:43:16,438 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat' 2026-02-10T11:43:16,439 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat' 2026-02-10T11:43:16,440 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat' 2026-02-10T11:43:16,442 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat' 2026-02-10T11:43:16,446 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat' 2026-02-10T11:43:16,450 adding 'xcbm-0.1.7.dist-info/licenses/LICENSE' 2026-02-10T11:43:16,451 adding 'xcbm-0.1.7.dist-info/METADATA' 2026-02-10T11:43:16,452 adding 'xcbm-0.1.7.dist-info/WHEEL' 2026-02-10T11:43:16,453 adding 'xcbm-0.1.7.dist-info/top_level.txt' 2026-02-10T11:43:16,756 adding 'xcbm-0.1.7.dist-info/RECORD' 2026-02-10T11:43:17,053 removing build/bdist.linux-armv7l/wheel 2026-02-10T11:43:28,186 Building wheel for xcbm (pyproject.toml): finished with status 'done' 2026-02-10T11:43:28,466 Created wheel for xcbm: filename=xcbm-0.1.7-py3-none-any.whl size=8809034 sha256=21e589b640d515f063482b0b592e1f334fbcf3ed8c1c36c7d80fdf98f4505e46 2026-02-10T11:43:28,468 Stored in directory: /tmp/pip-ephem-wheel-cache-fl1q4bf3/wheels/05/2a/12/084076a4223da52a5797dd6458d2ba125153f7d4cf1a817be2 2026-02-10T11:43:29,075 Successfully built xcbm 2026-02-10T11:43:29,292 Removed build tracker: '/tmp/pip-build-tracker-zyxmtdys'